Glycoside
GD133543
Name:
2-[3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-4-hydroxyphenyl]-5-hydroxy-3,7-dimethoxy-4H-chromen-4-oneFormula:
C35H44O20Smiles:
COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 784.72 | Num_heavy_atoms: | 55 |
| TPSA: | 306.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD51820
Formula: C17H14O7
Smiles:
COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
