Glycoside
GD140609
Name:
3a,3b,6,6,9a-pentamethyl-1-(6-methylhept-5-en-2-yl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-4-yl octanoateFormula:
C43H72O7Smiles:
CCCCCCCC(=O)OC1CC2C(C)(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2=CCC3C(C(C)CCC=C(C)C)CCC3(C)C21CAglycone:
CCCCCCCC(=O)OC1CC2C(C)(CCC(O)C2(C)C)C2=CCC3C(C(C)CCC=C(C)C)CCC3(C)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 8.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 701.04 | Num_heavy_atoms: | 50 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD56694
Formula: C38H64O3
Smiles:
CCCCCCCC(=O)OC1CC2C(C)(CCC(O)C2(C)C)C2=CCC3C(C(C)CCC=C(C)C)CCC3(C)C21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 10.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 568.93 | Num_heavy_atoms: | 41 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
