Glycoside
...
GD000976

Name:
None

Formula:
C13H25O13NP2

Smiles:
CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@H]1OCP(=O)(O)CC(C)C(=O)O

Aglycone:
CC(CP(=O)(O)CO)C(=O)O.O=P(O)(O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 1
HBD: 7 FractionCSP3: 0.85
AlogP: -1.99 Num_rotatable_bonds: 10
MolWt: 465.29 Num_heavy_atoms: 29
TPSA: 229.38 NumAromaticRings: 0

Unique Aglycone
AD00019
Formula: H3O4P

Smiles:
O=P(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.0
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 97.99 Num_heavy_atoms: 5
TPSA: 77.76 NumAromaticRings: 0
AD01016
Formula: C5H11O5P

Smiles:
CC(CP(=O)(O)CO)C(=O)O
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.8
AlogP: -0.07 Num_rotatable_bonds: 4
MolWt: 182.11 Num_heavy_atoms: 11
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O