Glycoside
GD008884
Name:
Bionectriol DFormula:
C38H68O11Smiles:
CC[C@H](C)C[C@H](C)C[C@H](C)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C(=O)OAglycone:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 20 |
| MolWt: | 700.95 | Num_heavy_atoms: | 49 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD07039
Formula: C32H58O6
Smiles:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 17 |
| MolWt: | 538.81 | Num_heavy_atoms: | 38 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
