Glycoside
GD133493
Name:
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}oxane-2-carboxylic acidFormula:
C28H30O16Smiles:
COc1ccc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.53 | Num_heavy_atoms: | 44 |
| TPSA: | 255.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD07766
Formula: C16H12O6
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
