Glycoside
GD117072
Name:
6-(3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methylheptane-2,3,4,5-tetrolFormula:
C36H62O10Smiles:
CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)CCC12CAglycone:
CCC1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12CSugarmoiety:
CC(C)(O)C(O)C(O)C(O)O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD18108
Formula: C24H40O
Smiles:
CCC1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 344.58 | Num_heavy_atoms: | 25 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
