Glycoside
GD143702
Name:
3-hydroxy-5-{[4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxolan-2-yl]oxy}-6-methyloctanoic acidFormula:
C20H36O12Smiles:
CCC(C)C(CC(O)CC(=O)O)OC1OC(CO)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CCC(C)C(O)CC(O)CC(=O)OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 468.5 | Num_heavy_atoms: | 32 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD26832
Formula: C9H18O4
Smiles:
CCC(C)C(O)CC(O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 190.24 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
