Glycoside
GD118059
Name:
5,6-dihydroxy-2-(hydroxymethyl)-4-[1-(hydroxymethyl)-2,6-dimethylcyclohex-2-ene-1-carbonyloxy]oxan-3-yl 3,4-dihydroxybenzoateFormula:
C23H30O11Smiles:
CC1=CCCC(C)C1(CO)C(=O)OC1C(O)C(O)OC(CO)C1OC(=O)c1ccc(O)c(O)c1Aglycone:
CC1=CCCC(C)C1(CO)C(=O)O.O=C(O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.48 | Num_heavy_atoms: | 34 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD13437
Formula: C7H6O4
Smiles:
O=C(O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD47156
Formula: C10H16O3
Smiles:
CC1=CCCC(C)C1(CO)C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.24 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
