Glycoside
...
GD157694

Name:
None

Formula:
C27H28O9N2

Smiles:
NC1=CC(CCOC2C(Oc3ccc4c(c3O)C(=O)c3ccccc3C4=O)OC(CO)C(O)C2O)=CCN1

Aglycone:
NC1=CC(CCO)=CCN1.O=C1c2ccccc2C(=O)c2c1ccc(O)c2O

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 7 FractionCSP3: 0.33
AlogP: 0.09 Num_rotatable_bonds: 7
MolWt: 524.53 Num_heavy_atoms: 38
TPSA: 180.8 NumAromaticRings: 2

Unique Aglycone
AD11663
Formula: C14H8O4

Smiles:
O=C1c2ccccc2C(=O)c2c1ccc(O)c2O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 1.87 Num_rotatable_bonds: 0
MolWt: 240.21 Num_heavy_atoms: 18
TPSA: 74.6 NumAromaticRings: 2
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