Glycoside
GD143560
Name:
2-(hydroxymethyl)-6-({3-methyl-5-[4,6,7-trihydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]pent-2-en-1-yl}oxy)oxane-3,4,5-triolFormula:
C26H44O10Smiles:
C=C1CC(O)C2C(C)(CC(O)C(O)C2(C)CO)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CC(O)C2C(C)(CC(O)C(O)C2(C)CO)C1CCC(C)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.63 | Num_heavy_atoms: | 36 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD57737
Formula: C20H34O5
Smiles:
C=C1CC(O)C2C(C)(CC(O)C(O)C2(C)CO)C1CCC(C)=CCO| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.49 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
