Glycoside
GD154213
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H36O11Smiles:
C=C(COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CC=C(C)CC1Aglycone:
C=C(CO)C1CC=C(C)CC1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.52 | Num_heavy_atoms: | 33 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD57212
Formula: C10H16O
Smiles:
C=C(CO)C1CC=C(C)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.24 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
