Glycoside
GD145988
Name:
methyl 2-[4-(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)-5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]acetateFormula:
C25H38O11Smiles:
COC(=O)Cc1cc(O)c(CC=C(C)CCC(O)C(C)(C)O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)Cc1cc(O)c(CC=C(C)CCC(O)C(C)(C)O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 514.57 | Num_heavy_atoms: | 36 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD58569
Formula: C19H28O6
Smiles:
COC(=O)Cc1cc(O)c(CC=C(C)CCC(O)C(C)(C)O)cc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 352.43 | Num_heavy_atoms: | 25 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
