Glycoside
GD118243
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoateFormula:
C30H34O17Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC4OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C4O)c(OC)c3o2)ccc1OAglycone:
COC(=O)CC(C)(O)COC=O.COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 666.59 | Num_heavy_atoms: | 47 |
| TPSA: | 250.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD04978
Formula: C18H16O8
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
AD47257
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)COC=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
