Glycoside
...
GD129266

Name:
None

Formula:
C41H39O14N3

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(O)OC(=O)C(NCCC=O)C(=O)O)C(O)C2O)c1

Aglycone:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=CCCNC(C(=O)O)C(=O)OCO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 7 FractionCSP3: 0.27
AlogP: 2.55 Num_rotatable_bonds: 14
MolWt: 797.77 Num_heavy_atoms: 58
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
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
AD45394
Formula: C7H11O6N

Smiles:
O=CCCNC(C(=O)O)C(=O)OCO
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -1.89 Num_rotatable_bonds: 7
MolWt: 205.17 Num_heavy_atoms: 14
TPSA: 112.93 NumAromaticRings: 0

Sugarmoiety
SD00017

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