Glycoside
...
GD131858

Name:
None

Formula:
C34H34O9N2

Smiles:
NC1=CC(CCOC2C(Oc3c(Cc4ccccc4)cc4c(c3O)C(=O)c3ccccc3C4=O)OC(CO)C(O)C2O)=CCN1

Aglycone:
NC1=CC(CCO)=CCN1.O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 7 FractionCSP3: 0.29
AlogP: 1.68 Num_rotatable_bonds: 9
MolWt: 614.65 Num_heavy_atoms: 45
TPSA: 180.8 NumAromaticRings: 3

Unique Aglycone
AD51143
Formula: C21H14O4

Smiles:
O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2O
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.05
AlogP: 3.46 Num_rotatable_bonds: 2
MolWt: 330.34 Num_heavy_atoms: 25
TPSA: 74.6 NumAromaticRings: 3
AD51500
Formula: C7H12ON2

Smiles:
NC1=CC(CCO)=CCN1
HBA: 3 RingCount: 1
HBD: 4 FractionCSP3: 0.43
AlogP: -0.3 Num_rotatable_bonds: 2
MolWt: 140.19 Num_heavy_atoms: 10
TPSA: 58.28 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O