Glycoside
GD152699
Name:
2-({4,5-dihydroxy-6-[(2-hydroxy-2,6-dimethyl-10-methylidenedodeca-6,11-dien-3-yl)oxy]-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H46O12Smiles:
C=CC(=C)CCC=C(C)CCC(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(C)(C)OAglycone:
C=CC(=C)CCC=C(C)CCC(O)C(C)(C)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 14 |
| MolWt: | 562.65 | Num_heavy_atoms: | 39 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD53467
Formula: C15H26O2
Smiles:
C=CC(=C)CCC=C(C)CCC(O)C(C)(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
