Glycoside
GD039189
Name:
D-Glycero-D-Manno-Heptose 1,7-BisphosphateFormula:
C7H16O13P2Smiles:
O=P(O)(O)OC[C@@H](O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H]1OAglycone:
O=P(O)(O)O.O=P(O)(O)OCCOSugarmoiety:
OCC(O)C1OOOC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 370.14 | Num_heavy_atoms: | 22 |
| TPSA: | 223.67 | 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 |
AD01501
Formula: C2H7O5P
Smiles:
O=P(O)(O)OCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 142.05 | Num_heavy_atoms: | 8 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
