Glycoside
GD006893
Name:
NoneFormula:
C19H34O16N2P2Smiles:
CC(=O)N[C@@H]1C(OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@H]1O[C@H](C)C(=O)N[C@H](C)P(=O)(O)CC(CCC(=O)O)C(=O)OAglycone:
CC(O)C(=O)NC(C)P(=O)(O)CC(CCC(=O)O)C(=O)O.O=P(O)(O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 15 |
| MolWt: | 608.43 | Num_heavy_atoms: | 39 |
| TPSA: | 295.78 | NumAromaticRings: | 0 |
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 |
AD04740
Formula: C11H20O8NP
Smiles:
CC(O)C(=O)NC(C)P(=O)(O)CC(CCC(=O)O)C(=O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 325.25 | Num_heavy_atoms: | 21 |
| TPSA: | 161.23 | NumAromaticRings: | 0 |
