Glycoside
GD140591
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-7H-chromen-7-oneFormula:
C27H30O15Smiles:
CC1OC(OCC2OC(Oc3cc4c(O)cc(=O)cc-4oc3-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc2oc(-c3ccc(O)c(O)c3)c(O)cc-2c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 249.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD50077
Formula: C15H10O6
Smiles:
O=c1cc2oc(-c3ccc(O)c(O)c3)c(O)cc-2c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 1 |
