Glycoside
GD139786
Name:
3-methyl-4-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)octanoic acidFormula:
C22H32O12Smiles:
CCCCC(OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O)C(C)CC(=O)OAglycone:
CCCCC(O)C(C)CC(=O)O.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 488.49 | Num_heavy_atoms: | 34 |
| TPSA: | 203.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD56375
Formula: C9H18O3
Smiles:
CCCCC(O)C(C)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 174.24 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
