Glycoside
GD115103
Name:
2-methyl-5-(1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}prop-1-en-2-yl)cyclopentane-1-carbaldehydeFormula:
C22H36O12Smiles:
CC(=COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC(C)C1C=OAglycone:
CC(=CO)C1CCC(C)C1C=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.52 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD45474
Formula: C10H16O2
Smiles:
CC(=CO)C1CCC(C)C1C=O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
