Glycoside
GD153050
Name:
2-{[8-hydroxy-1,4a-dimethyl-5-(3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentyl)-6-methylidene-decahydronaphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H56O13Smiles:
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: | 9 | FractionCSP3: | 0.94 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 12 |
| MolWt: | 648.79 | Num_heavy_atoms: | 45 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD56738
Formula: C20H36O3
Smiles:
C=C1CC(O)C2C(C)(CO)CCCC2(C)C1CCC(C)CCO| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.51 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
