Glycoside
GD132474
Name:
N-[3,4-dimethoxy-14-(methylsulfanyl)-13-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.5.0.0²,â·]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]acetamideFormula:
C27H33O10NSSmiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(N=C(C)O)CC2Aglycone:
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(N=C(C)O)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 563.63 | Num_heavy_atoms: | 39 |
| TPSA: | 167.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD53641
Formula: C21H23O5NS
Smiles:
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(N=C(C)O)CC2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.48 | Num_heavy_atoms: | 28 |
| TPSA: | 88.35 | NumAromaticRings: | 2 |
