Glycoside
GD038329
Name:
~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamideFormula:
C30H40O13N2Smiles:
COc1cccc(CO[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@@H](CO)O[C@H](NC(C)=O)[C@@H](NC(=O)c4cccc(OC)c4)[C@H]3O)[C@H]2O)c1Aglycone:
COc1cccc(C(=O)NC2C(NC(C)=O)OC(CO)C(O)C2O)c1.COc1cccc(CO)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 12 |
| MolWt: | 636.65 | Num_heavy_atoms: | 45 |
| TPSA: | 214.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD23970
Formula: C16H22O7N2
Smiles:
COc1cccc(C(=O)NC2C(NC(C)=O)OC(CO)C(O)C2O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 137.35 | NumAromaticRings: | 1 |
AD23971
Formula: C8H10O2
Smiles:
COc1cccc(CO)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
