Glycoside
...
GD126393

Name:
4-(benzoyloxy)-5-[1-(benzoyloxy)-2-(triphenylmethoxy)ethyl]-2-{[4-(benzoyloxy)-2-[1,2-bis(benzoyloxy)ethyl]-5-({5-[1,2-bis(benzoyloxy)ethyl]-2-cyano-2-methyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl}oxy)oxolan-3-yl]oxy}oxolan-3-yl benzoate

Formula:
C96H79O24N

Smiles:
CC1(C#N)OC2OC(C(COC(=O)c3ccccc3)OC(=O)c3ccccc3)C(OC3OC(C(COC(=O)c4ccccc4)OC(=O)c4ccccc4)C(OC4OC(C(COC(c5ccccc5)(c5ccccc5)c5ccccc5)OC(=O)c5ccccc5)C(OC(=O)c5ccccc5)C4OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C2O1

Aglycone:
CC1(C#N)OC2OC(C(COC(=O)c3ccccc3)OC(=O)c3ccccc3)C(O)C2O1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(OCCOC(=O)c1ccccc1)c1ccccc1.O=C(OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OC1OOC(O)O1

Other Identifiers

Properties
HBA: 25 RingCount: 15
HBD: 0 FractionCSP3: 0.22
AlogP: 13.66 Num_rotatable_bonds: 31
MolWt: 1630.67 Num_heavy_atoms: 121
TPSA: 308.03 NumAromaticRings: 11

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD44720
Formula: C16H14O4

Smiles:
O=C(OCCOC(=O)c1ccccc1)c1ccccc1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.12
AlogP: 2.7 Num_rotatable_bonds: 5
MolWt: 270.28 Num_heavy_atoms: 20
TPSA: 52.6 NumAromaticRings: 2
AD51138
Formula: C23H21O8N

Smiles:
CC1(C#N)OC2OC(C(COC(=O)c3ccccc3)OC(=O)c3ccccc3)C(O)C2O1
HBA: 9 RingCount: 4
HBD: 1 FractionCSP3: 0.35
AlogP: 1.81 Num_rotatable_bonds: 6
MolWt: 439.42 Num_heavy_atoms: 32
TPSA: 124.31 NumAromaticRings: 2
AD51139
Formula: C28H24O3

Smiles:
O=C(OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
HBA: 3 RingCount: 4
HBD: 0 FractionCSP3: 0.11
AlogP: 5.85 Num_rotatable_bonds: 8
MolWt: 408.5 Num_heavy_atoms: 31
TPSA: 35.53 NumAromaticRings: 4

Sugarmoiety
SD06617

OCC(O)C1OC(O)C(O)C1OC1OOC(O)O1