Glycoside
...
GD006112

Name:
None

Formula:
C21H26O10NP

Smiles:
CNC(=O)c1cccc(-c2ccc(O[C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]3O)c(C)c2)c1

Aglycone:
CNC(=O)c1cccc(-c2ccc(O)c(C)c2)c1.COP(=O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.38
AlogP: 0.32 Num_rotatable_bonds: 7
MolWt: 483.41 Num_heavy_atoms: 33
TPSA: 175.01 NumAromaticRings: 2

Unique Aglycone
AD00079
Formula: CH5O4P

Smiles:
COP(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.27 Num_rotatable_bonds: 1
MolWt: 112.02 Num_heavy_atoms: 6
TPSA: 66.76 NumAromaticRings: 0
AD05084
Formula: C15H15O2N

Smiles:
CNC(=O)c1cccc(-c2ccc(O)c(C)c2)c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.13
AlogP: 2.73 Num_rotatable_bonds: 2
MolWt: 241.29 Num_heavy_atoms: 18
TPSA: 49.33 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O