Glycoside
...
GD144922

Name:
None

Formula:
C34H40O9N2

Smiles:
CC1=CC2C(=O)c3cccc(OC4OC(CO)C(O)C(O)(CC56CCCC5CCC5=C6C=C(N)NC5)C4O)c3C(=O)C2C(O)=C1

Aglycone:
CC12CCCC1CCC1=C2C=C(N)NC1.CC1=CC2C(=O)c3cccc(O)c3C(=O)C2C(O)=C1

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

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 8 FractionCSP3: 0.53
AlogP: 1.92 Num_rotatable_bonds: 5
MolWt: 620.7 Num_heavy_atoms: 45
TPSA: 191.8 NumAromaticRings: 1

Unique Aglycone
AD49197
Formula: C15H12O4

Smiles:
CC1=CC2C(=O)c3cccc(O)c3C(=O)C2C(O)=C1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.2
AlogP: 2.41 Num_rotatable_bonds: 0
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 74.6 NumAromaticRings: 1
AD55307
Formula: C13H20N2

Smiles:
CC12CCCC1CCC1=C2C=C(N)NC1
HBA: 2 RingCount: 3
HBD: 3 FractionCSP3: 0.69
AlogP: 2.29 Num_rotatable_bonds: 0
MolWt: 204.32 Num_heavy_atoms: 15
TPSA: 38.05 NumAromaticRings: 0

Sugarmoiety
SD04501

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