Glycoside
GD133475
Name:
Clavosolide DFormula:
C43H70O16Smiles:
COC1COC(OC2CC3CC(=O)OC(C4CC4C)CC4CC(OC5OCC(OC)C(OC)C5OC)C(C)C(CC(=O)OC(C5CC5C)CC(C2)O3)O4)C(OC)C1OCAglycone:
CC1CC1C1CC2CC(O)CC(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: | 3.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 843.02 | Num_heavy_atoms: | 59 |
| TPSA: | 163.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD54024
Formula: C27H42O8
Smiles:
CC1CC1C1CC2CC(O)CC(CC(=O)OC(C3CC3C)CC3CC(O)C(C)C(CC(=O)O1)O3)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 494.63 | Num_heavy_atoms: | 35 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
