Glycoside
GD155351
Name:
[3,4,5-trihydroxy-6-({10-hydroxy-2,5-dimethyl-4-oxo-4H-benzo[h]chromen-8-yl}oxy)oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H28O11Smiles:
Cc1cc(=O)c2c(C)cc3cc(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)cc(O)c3c2o1Aglycone:
COC(=O)C=Cc1ccc(O)cc1.Cc1cc(=O)c2c(C)cc3cc(O)cc(O)c3c2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 564.54 | Num_heavy_atoms: | 41 |
| TPSA: | 176.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD55733
Formula: C15H12O4
Smiles:
Cc1cc(=O)c2c(C)cc3cc(O)cc(O)c3c2o1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
