Glycoside
GD152763
Name:
(6-{[1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl octadecanoateFormula:
C52H92O7Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(C)C(C)C)CCC43)C2)C(O)C(O)C1OAglycone:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.CCCCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 12.27 | Num_rotatable_bonds: | 25 |
| MolWt: | 829.3 | Num_heavy_atoms: | 59 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD02574
Formula: C19H38O2
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.95 |
| AlogP: | 6.42 | Num_rotatable_bonds: | 16 |
| MolWt: | 298.51 | Num_heavy_atoms: | 21 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46004
Formula: C28H48O
Smiles:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 7.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.69 | Num_heavy_atoms: | 29 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
