Glycoside
GD120615
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,4a-dimethyl-5-(3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl)-6-methylidene-decahydronaphthalene-1-carboxylateFormula:
C32H52O13Smiles:
C=C1CCC2C(C)(C(=O)OC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CCC2C(C)(C(=O)O)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: | 0.84 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 644.76 | Num_heavy_atoms: | 45 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD48478
Formula: C20H32O3
Smiles:
C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CCO| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
