Glycoside
GD030971
Name:
OCIMUMOSIDE AFormula:
C47H91O9NSmiles:
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 10.53 | Num_rotatable_bonds: | 41 |
| MolWt: | 814.24 | Num_heavy_atoms: | 57 |
| TPSA: | 157.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD20010
Formula: C41H80O5
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 12.74 | Num_rotatable_bonds: | 38 |
| MolWt: | 653.09 | Num_heavy_atoms: | 46 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
