Glycoside
GD116350
Name:
3,4,5-trihydroxyoxan-2-yl 2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-6-methylhept-4-enoateFormula:
C35H54O8Smiles:
CC(C)(O)C=CCC(C(=O)OC1OCC(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3Aglycone:
CC(C)(O)C=CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 602.81 | Num_heavy_atoms: | 43 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD46184
Formula: C30H46O4
Smiles:
CC(C)(O)C=CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 6.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
