Glycoside
GD141560
Name:
5-hydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-7H-chromen-7-oneFormula:
C27H30O14Smiles:
CC1OC(OCC2OC(Oc3cc4c(O)cc(=O)cc-4oc3-c3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc2oc(-c3ccc(O)cc3)c(O)cc-2c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 228.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD47390
Formula: C15H10O5
Smiles:
O=c1cc2oc(-c3ccc(O)cc3)c(O)cc-2c(O)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
