Glycoside
GD128469
Name:
2-{[3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,8H,9H,11aH,11bH,12H,13H,13aH,13bH-cyclopenta[a]chrysen-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H56O6Smiles:
C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5=CCC43C)C12Aglycone:
C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(O)C(C)(C)C5=CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 584.84 | Num_heavy_atoms: | 42 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD52035
Formula: C30H46O
Smiles:
C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(O)C(C)(C)C5=CCC43C)C12| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 7.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 422.7 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
