Glycoside
GD136344
Name:
1-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetateFormula:
C30H44O8Smiles:
COC1OC(OC)C(O)(C2CC=C3C2(C)CCC2C4(C)C=CC(=O)C(C)(C)C4CC(OC(C)=O)C32C)C1OAglycone:
CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)CCC=C3C12CSugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.67 | Num_heavy_atoms: | 38 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD55108
Formula: C24H34O3
Smiles:
CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)CCC=C3C12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.53 | Num_heavy_atoms: | 27 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
