Glycoside
GD003011
Name:
NoneFormula:
C9H13O9N2PSmiles:
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](OP(=O)(O)O)O2)cc1COAglycone:
O=P(O)(O)O.O=c1[nH]cc(CO)c(=O)[nH]1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.18 | Num_heavy_atoms: | 21 |
| TPSA: | 171.31 | 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 |
AD00386
Formula: C5H6O3N2
Smiles:
O=c1[nH]cc(CO)c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 85.95 | NumAromaticRings: | 1 |
