Glycoside
...
GD143739

Name:
None

Formula:
C35H36O9N2

Smiles:
NC1=CC(CCOC2C(Oc3cc(CCc4ccccc4)c4c(c3O)C(=O)c3ccccc3C4=O)OC(CO)C(O)C2O)=CCN1

Aglycone:
NC1=CC(CCO)=CCN1.O=C1c2ccccc2C(=O)c2c(O)c(O)cc(CCc3ccccc3)c21

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

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 7 FractionCSP3: 0.31
AlogP: 1.88 Num_rotatable_bonds: 10
MolWt: 628.68 Num_heavy_atoms: 46
TPSA: 180.8 NumAromaticRings: 3

Unique Aglycone
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
AD53140
Formula: C22H16O4

Smiles:
O=C1c2ccccc2C(=O)c2c(O)c(O)cc(CCc3ccccc3)c21
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.09
AlogP: 3.66 Num_rotatable_bonds: 3
MolWt: 344.37 Num_heavy_atoms: 26
TPSA: 74.6 NumAromaticRings: 3

Sugarmoiety
SD00003

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