Glycoside
GD137513
Name:
4-{[3,4-bis(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C35H44O17Smiles:
COc1cc(C=CC(=O)OC2C(CO)OC(OCCc3ccc(O)c(OC)c3)C(O)C2OC2OC(C)C(O)C(OC(C)=O)C2OC(C)=O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1cc(CCO)ccc1OSugarmoiety:
CC(=O)OC1C(OC2C(O)C(O)OC(CO)C2O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.51 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 14 |
| MolWt: | 736.72 | Num_heavy_atoms: | 52 |
| TPSA: | 235.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD00176
Formula: C9H12O3
Smiles:
COc1cc(CCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
