Glycoside
GD017315
Name:
OCIMUMOSIDE BFormula:
C47H88O15Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 38 |
| MolWt: | 893.21 | Num_heavy_atoms: | 62 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD12366
Formula: C35H68O5
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 10.4 | Num_rotatable_bonds: | 32 |
| MolWt: | 568.92 | Num_heavy_atoms: | 40 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
