Glycoside
GD139672
Name:
[6-({2-[(2-{3-[3-(acetyloxy)-5,5-dimethylcyclopent-1-en-1-yl]-4-methoxyphenyl}-5,6-dihydroxy-4-oxo-4H-chromen-7-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C45H56O23Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC4OC(CO)C(O)C(OC5OC(COC(C)=O)C(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)cc3o2)cc1C1=CC(OC(C)=O)CC1(C)CAglycone:
COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1C1=CC(OC(C)=O)CC1(C)CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 13 |
| MolWt: | 964.92 | Num_heavy_atoms: | 68 |
| TPSA: | 349.72 | NumAromaticRings: | 3 |
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 |
AD56323
Formula: C25H24O8
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1C1=CC(OC(C)=O)CC1(C)C| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.46 | Num_heavy_atoms: | 33 |
| TPSA: | 126.43 | NumAromaticRings: | 3 |
