Glycoside
GD134259
Name:
2-[(6-{[4,7-dihydroxy-3-(2-hydroxypropan-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C36H60O13Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4C(C3)C(O)CC3C4CCC4C3CC(O)C3C4CCC3C(C)(C)O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC2C3CCC4C5CCC(O)CC5C(O)CC4C3CC(O)C21Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 700.86 | Num_heavy_atoms: | 49 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD54318
Formula: C24H40O4
Smiles:
CC(C)(O)C1CCC2C3CCC4C5CCC(O)CC5C(O)CC4C3CC(O)C21| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 392.58 | Num_heavy_atoms: | 28 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
