Glycoside
GD120209
Name:
Mannose-(1D-Myo-Inositol 1-Phosphate)2Formula:
C18H34O22P2Smiles:
O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(COP(=O)(O)OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O.O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -8.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.4 | Num_heavy_atoms: | 42 |
| TPSA: | 383.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD47546
Formula: C6H13O9P
Smiles:
O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.13 | Num_heavy_atoms: | 16 |
| TPSA: | 167.91 | NumAromaticRings: | 0 |
AD48257
Formula: C7H15O9P
Smiles:
COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.16 | Num_heavy_atoms: | 17 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
