Glycoside
...
GD137481

Name:
None

Formula:
C46H49O14N3

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(COC(=O)C(NCCC=O)C(=O)O)C(O)C2(O)C(O)CC(C)C)c1

Aglycone:
CC(C)CCO.COC(=O)C(NCCC=O)C(=O)O.Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

Sugarmoiety:
OC1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 7 FractionCSP3: 0.35
AlogP: 4.01 Num_rotatable_bonds: 17
MolWt: 867.91 Num_heavy_atoms: 63
TPSA: 252.24 NumAromaticRings: 6

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD22273
Formula: C5H12O

Smiles:
CC(C)CCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 1.02 Num_rotatable_bonds: 2
MolWt: 88.15 Num_heavy_atoms: 6
TPSA: 20.23 NumAromaticRings: 0
AD45036
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.14
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 40.95 NumAromaticRings: 3
AD47408
Formula: C7H11O5N

Smiles:
COC(=O)C(NCCC=O)C(=O)O
HBA: 6 RingCount: 0
HBD: 2 FractionCSP3: 0.57
AlogP: -1.21 Num_rotatable_bonds: 6
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 92.7 NumAromaticRings: 0

Sugarmoiety
SD04461

OC1OC(O)C(O)C(O)(O)C1O