Glycoside
GD019090
Name:
CLAVOSOLIDE CFormula:
C43H70O16Smiles:
CO[C@H]1CO[C@@H](O[C@H]2C[C@@H]3C[C@H]([C@@H]4C[C@H]4C)OC(=O)C[C@@H]4O[C@H](C[C@@H](O[C@H]5OC[C@@H](O)[C@@H](OC)[C@@H]5OC)[C@@H]4C)C[C@H]([C@@H]4C[C@H]4C)OC(=O)C[C@H](O3)[C@@H]2C)[C@H](OC)[C@H]1OCAglycone:
CC1CC1C1CC2CC(O)C(C)C(CC(=O)OC(C3CC3C)CC3CC(O)C(C)C(CC(=O)O1)O3)O2Sugarmoiety:
COC1C(O)COC(O)C1OC.COC1COC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 843.02 | Num_heavy_atoms: | 59 |
| TPSA: | 174.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD13373
Formula: C28H44O8
Smiles:
CC1CC1C1CC2CC(O)C(C)C(CC(=O)OC(C3CC3C)CC3CC(O)C(C)C(CC(=O)O1)O3)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 508.65 | Num_heavy_atoms: | 36 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
