Glycoside
GD131402
Name:
6-[(5-{[5-(acetyloxy)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl propanoateFormula:
C40H65O15NSmiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(N(C)C)C2O)C1OCAglycone:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(O)C2N(C)C)CC1(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 799.95 | Num_heavy_atoms: | 56 |
| TPSA: | 206.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD02541
Formula: C23H36O8
Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.53 | Num_heavy_atoms: | 31 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
