Glycoside
GD141836
Name:
4a,8-dimethyl-4-(3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentyl)-3-methylidene-8-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-decahydronaphthalen-1-oneFormula:
C32H54O13Smiles:
C=C1CC(=O)C2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CCC(C)CCOC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CC(=O)C2C(C)(CO)CCCC2(C)C1CCC(C)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 646.77 | Num_heavy_atoms: | 45 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD57108
Formula: C20H34O3
Smiles:
C=C1CC(=O)C2C(C)(CO)CCCC2(C)C1CCC(C)CCO| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
