Glycoside
GD136005
Name:
2-{[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:
C32H56O12Smiles:
C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CCC(C)CCOC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC(C)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 632.79 | Num_heavy_atoms: | 44 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD54981
Formula: C20H36O2
Smiles:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC(C)CCO| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 308.51 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
