Glycoside
GD147910
Name:
5-(acetyloxy)-4-{[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C40H52O21Smiles:
COc1cc(C=CC(=O)OC2C(COC3OC(C)C(O)C(O)C3O)OC(OCCc3ccc(O)c(O)c3)C(OC(C)=O)C2OC2OC(C)C(O)C(O)C2OC(C)=O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.OCCc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(OC2C(O)C(COC3OC(C)C(O)C(O)C3O)OC(O)C2OC(C)=O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 15 |
| MolWt: | 868.84 | Num_heavy_atoms: | 61 |
| TPSA: | 305.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
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 |
