Glycoside
GD148322
Name:
3-[(6-{[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-5,7-dihydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-oneFormula:
C33H40O20Smiles:
CC1OC(OCC2OC(Oc3c(-c4cccc(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
O=c1c(O)c(-c2cccc(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -3.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.66 | Num_heavy_atoms: | 53 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD52399
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2cccc(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
