Glycoside
GD119122
Name:
Clavosolide AFormula:
C44H72O16Smiles:
COC1COC(OC2CC3CC(C4CC4C)OC(=O)CC4OC(CC(OC5OCC(OC)C(OC)C5OC)C4C)CC(C4CC4C)OC(=O)CC(O3)C2C)C(OC)C1OCAglycone:
CC1CC1C1CC2CC(O)C(C)C(CC(=O)OC(C3CC3C)CC3CC(O)C(C)C(CC(=O)O1)O3)O2Sugarmoiety:
COC1COC(O)C(OC)C1OC.COC1COC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.95 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 857.04 | Num_heavy_atoms: | 60 |
| TPSA: | 163.36 | 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 |
