Glycoside
GD122890
Name:
6-[(acetyloxy)methyl]-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C33H32O16Smiles:
COc1cc(C(=O)OC2C(c3c(O)c(OC)c(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)OC(COC(C)=O)C(O)C2O)cc(OC)c1OAglycone:
COC(C)=O.COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O.COc1cc(C(=O)O)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 684.6 | Num_heavy_atoms: | 49 |
| TPSA: | 241.11 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10220
Formula: C16H12O6
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
AD16068
Formula: C9H10O5
Smiles:
COc1cc(C(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.17 | Num_heavy_atoms: | 14 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
