Glycoside
GD143122
Name:
5-hydroxy-3-(4-hydroxyphenyl)-8-methyl-8-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}-4H,8H-pyrano[3,2-g]chromen-4-oneFormula:
C32H36O15Smiles:
CC1OC(OCC2OC(OCC3(C)C=Cc4c(cc5occ(-c6ccc(O)cc6)c(=O)c5c4O)O3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(CO)C=Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.63 | Num_heavy_atoms: | 47 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD57574
Formula: C20H16O6
Smiles:
CC1(CO)C=Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.34 | Num_heavy_atoms: | 26 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
