Glycoside
GD138365
Name:
2-{[8,9-dihydroxy-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]oxy}-6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C46H76O17Smiles:
C=C(C)C1CCC2(OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C12Aglycone:
C=C(C)C1CCC2(O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C12Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 901.1 | Num_heavy_atoms: | 63 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD55861
Formula: C28H46O3
Smiles:
C=C(C)C1CCC2(O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
