Glycoside
GD139526
Name:
4-(dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl}oxy)-6-methyloxan-3-yl 3-(propanoyloxy)propanoateFormula:
C43H75O16NSmiles:
CCC(=O)OCCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)CAglycone:
CCC(=O)OCCC(=O)OC1C(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 12 |
| MolWt: | 862.06 | Num_heavy_atoms: | 60 |
| TPSA: | 226.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD56261
Formula: C35H61O13N
Smiles:
CCC(=O)OCCC(=O)OC1C(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C| HBA: | 14 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 703.87 | Num_heavy_atoms: | 49 |
| TPSA: | 198.59 | NumAromaticRings: | 0 |
