Glycoside
GD032026
Name:
[3,5-bis(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C39H46O20Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OCCc3ccc(O)c(O)c3)O[C@@H](COC(=O)C=Cc3ccc(O)c(O)c3)[C@H]2OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(O)OC(O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.49 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 15 |
| MolWt: | 834.78 | Num_heavy_atoms: | 59 |
| TPSA: | 275.64 | 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 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
