Glycoside
GD146398
Name:
1-(6-{[6-(acetyloxy)-2-hydroxy-4-(5-methyl-2-sulfanylidene-1,3-thiazolidine-4-carbonyloxy)hexan-3-yl]oxy}-3-hydroxy-4-methoxy-2-methyloxan-3-yl)ethyl 2-methylbutanoateFormula:
C27H45O11NS2Smiles:
CCC(C)C(=O)OC(C)C1(O)C(C)OC(OC(C(C)O)C(CCOC(C)=O)OC(=O)C2N=C(S)SC2C)CC1OCAglycone:
CC(=O)OCCC(OC(=O)C1N=C(S)SC1C)C(O)C(C)O.CCOC(=O)C(C)CCSugarmoiety:
COC1CC(O)OC(C)C1(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 14 |
| MolWt: | 623.79 | Num_heavy_atoms: | 41 |
| TPSA: | 159.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD03771
Formula: C7H14O2
Smiles:
CCOC(=O)C(C)CC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD58705
Formula: C13H21O6NS2
Smiles:
CC(=O)OCCC(OC(=O)C1N=C(S)SC1C)C(O)C(C)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 351.45 | Num_heavy_atoms: | 22 |
| TPSA: | 105.42 | NumAromaticRings: | 0 |
