Glycoside
...
GD003881

Name:
None

Formula:
C11H18O12N2P2

Smiles:
COc1cn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]c1=O

Aglycone:
COP(=O)(O)CP(=O)(O)O.COc1c[nH]c(=O)[nH]c1=O

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 6 FractionCSP3: 0.64
AlogP: -2.5 Num_rotatable_bonds: 7
MolWt: 432.22 Num_heavy_atoms: 27
TPSA: 217.84 NumAromaticRings: 1

Unique Aglycone
AD01835
Formula: C5H6O3N2

Smiles:
COc1c[nH]c(=O)[nH]c1=O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: -0.93 Num_rotatable_bonds: 1
MolWt: 142.11 Num_heavy_atoms: 10
TPSA: 74.95 NumAromaticRings: 1
AD02310
Formula: C2H8O6P2

Smiles:
COP(=O)(O)CP(=O)(O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.05 Num_rotatable_bonds: 3
MolWt: 190.03 Num_heavy_atoms: 10
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O