Glycoside
...
GD004020

Name:
None

Formula:
C11H15O15N2P3

Smiles:
C#C[C@@]1(O)[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O

Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
C#CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 7 FractionCSP3: 0.45
AlogP: -2.5 Num_rotatable_bonds: 8
MolWt: 508.16 Num_heavy_atoms: 31
TPSA: 264.37 NumAromaticRings: 1

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD00534
Formula: CH7O10P3

Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O
HBA: 10 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.04 Num_rotatable_bonds: 5
MolWt: 271.98 Num_heavy_atoms: 14
TPSA: 159.82 NumAromaticRings: 0

Sugarmoiety
SD00146

C#CC1(O)C(O)OC(O)C1O