Glycoside
GD034569
Name:
NoneFormula:
C9H10O10NPSmiles:
O=c1[nH]c(=O)c([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)co1Aglycone:
COP(=O)([O-])[O-].O=c1ccoc(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.15 | Num_heavy_atoms: | 21 |
| TPSA: | 185.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD01339
Formula: CH3O4P
Smiles:
COP(=O)([O-])[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 72.42 | NumAromaticRings: | 0 |
AD11005
Formula: C4H3O3N
Smiles:
O=c1ccoc(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.07 | Num_heavy_atoms: | 8 |
| TPSA: | 63.07 | NumAromaticRings: | 1 |
