Glycoside
...
GD017348

Name:
None

Formula:
C16H27O19N2P3

Smiles:
O=c1ccn([C@@H]2O[C@H](CO)[C@H](C[C@@H]3O[C@H](CO)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]3O)[C@H]2OP(=O)(O)O)c(=O)[nH]1

Aglycone:
CC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1OP(=O)(O)O.O=P(O)(O)O.O=P(O)(O)O

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

Other Identifiers

Properties
HBA: 21 RingCount: 3
HBD: 10 FractionCSP3: 0.75
AlogP: -4.01 Num_rotatable_bonds: 11
MolWt: 644.31 Num_heavy_atoms: 40
TPSA: 334.29 NumAromaticRings: 1

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
AD12386
Formula: C10H15O8N2P

Smiles:
CC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1OP(=O)(O)O
HBA: 10 RingCount: 2
HBD: 4 FractionCSP3: 0.6
AlogP: -1.46 Num_rotatable_bonds: 4
MolWt: 322.21 Num_heavy_atoms: 21
TPSA: 151.08 NumAromaticRings: 1

Sugarmoiety
SD00003

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