Glycoside
GD038805
Name:
(3s,5s,7s)-n-{7-[(3-o-carbamoyl-6-deoxy-5-methyl-4-o-methyl-beta-d-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2h-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamideFormula:
C30H38O10N2Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)C45CC6CC(CC(C6)C4)C5)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(O)c(NC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)oc12Sugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 586.64 | Num_heavy_atoms: | 42 |
| TPSA: | 179.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD24145
Formula: C21H23O5N
Smiles:
Cc1c(O)ccc2c(O)c(NC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)oc12| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 369.42 | Num_heavy_atoms: | 27 |
| TPSA: | 99.77 | NumAromaticRings: | 2 |
