Glycoside
GD129941
Name:
3,5-dihydroxy-2-[(6-hydroxy-2-oxo-2H-chromen-7-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-4-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H32O15Smiles:
CC1OC(OCC2OC(Oc3cc4oc(=O)ccc4cc3O)C(O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=c1ccc2cc(O)c(O)cc2o1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.57 | Num_heavy_atoms: | 45 |
| TPSA: | 235.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD03223
Formula: C9H6O4
Smiles:
O=c1ccc2cc(O)c(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
