Glycoside
GD133231
Name:
9-{[4-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acidFormula:
C46H74O17Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(CO)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(CO)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 899.08 | Num_heavy_atoms: | 63 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD53932
Formula: C30H48O4
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(CO)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
