Glycoside
GD127138
Name:
6-acetyl-5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C30H34O15Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(C(C)=O)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(C(C)=O)c(O)cc3o2)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.59 | Num_heavy_atoms: | 45 |
| TPSA: | 235.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD51471
Formula: C18H14O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(C(C)=O)c(O)cc3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.3 | Num_heavy_atoms: | 24 |
| TPSA: | 96.97 | NumAromaticRings: | 3 |
