Glycoside
GD141163
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoateFormula:
C36H58O8Smiles:
CC(C)=CCCC(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3Aglycone:
CC(C)=CCCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD52283
Formula: C30H48O3
Smiles:
CC(C)=CCCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 7.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
