Glycoside
GD146450
Name:
(3,4,5-trihydroxy-6-{[3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl but-2-enoateFormula:
C26H26O11Smiles:
CC=CC(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(OC)c(O)c4)coc3c2)C(O)C(O)C1OAglycone:
CC=CC(=O)OC.COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.48 | Num_heavy_atoms: | 37 |
| TPSA: | 165.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD02571
Formula: C5H8O2
Smiles:
CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD11805
Formula: C16H12O5
Smiles:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
