Glycoside
GD150823
Name:
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O16Smiles:
COc1cc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(O)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)ccc1OAglycone:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1OSugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD04775
Formula: C16H14O6
Smiles:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
