Glycoside
GD133139
Name:
2-[(6-{[3a,5a,5b,8,8,11a,13a-heptamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]oxane-3,4,5-triolFormula:
C42H70O10Smiles:
C=C(C)C1CCC2(C)CCC3(C)C(C)(CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(C)CCC3(C)C(C)(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 735.01 | Num_heavy_atoms: | 52 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD53899
Formula: C31H52O
Smiles:
C=C(C)C1CCC2(C)CCC3(C)C(C)(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 8.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 440.76 | Num_heavy_atoms: | 32 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
