Glycoside
GD130996
Name:
6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7,12-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-14-[1-(methylsulfanyl)ethyl]-1-oxacyclotetradecane-2,10-dioneFormula:
C38H69O12NSSmiles:
COC1(C)CC(OC2C(C)C(=O)OC(C(C)SC)C(C)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1OAglycone:
CSC(C)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 764.03 | Num_heavy_atoms: | 52 |
| TPSA: | 173.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53086
Formula: C30H55O9NS
Smiles:
CSC(C)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 605.84 | Num_heavy_atoms: | 41 |
| TPSA: | 145.99 | NumAromaticRings: | 0 |
