Glycoside
GD155942
Name:
(6-{[5-(acetyloxy)-2-[4-(2-acetamidoethyl)phenoxy]-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C40H53O19NSmiles:
COc1ccc(C=CC(=O)OCC2OC(OC3C(Oc4ccc(CCN=C(C)O)cc4)OC(C)C(OC(C)=O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc1Aglycone:
CC(O)=NCCc1ccc(O)cc1.COC(=O)C=Cc1ccc(OC)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(O)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 16 |
| MolWt: | 851.85 | Num_heavy_atoms: | 60 |
| TPSA: | 291.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD11989
Formula: C11H12O3
Smiles:
COC(=O)C=Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD52690
Formula: C10H13O2N
Smiles:
CC(O)=NCCc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 52.82 | NumAromaticRings: | 1 |
