Glycoside
...
GD010201

Name:
None

Formula:
C41H38O11N2

Smiles:
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)n(C(=O)c4ccccc4)c3=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C(c1ccccc1)n1c(=O)cc[nH]c1=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 0 FractionCSP3: 0.24
AlogP: 4.49 Num_rotatable_bonds: 12
MolWt: 734.76 Num_heavy_atoms: 54
TPSA: 150.59 NumAromaticRings: 5

Unique Aglycone
AD07921
Formula: C22H22O3

Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.18
AlogP: 4.64 Num_rotatable_bonds: 6
MolWt: 334.42 Num_heavy_atoms: 25
TPSA: 27.69 NumAromaticRings: 3
AD07922
Formula: C11H8O3N2

Smiles:
O=C(c1ccccc1)n1c(=O)cc[nH]c1=O
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 0.23 Num_rotatable_bonds: 1
MolWt: 216.2 Num_heavy_atoms: 16
TPSA: 71.93 NumAromaticRings: 2

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O