Glycoside
GD121928
Name:
4-(acetyloxy)-6-[(6-{[10-(acetyloxy)-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propanoyloxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-5-hydroxy-2,4-dimethyloxan-3-yl propanoateFormula:
C45H71O18NSmiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C(OC2OC(C)C(OC3OC(C)C(OC(=O)CC)C(C)(OC(C)=O)C3O)C(N(C)C)C2O)C1OCAglycone:
CCC(=O)O.CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC(=O)OC1(C)C(O)C(C)OC(OC2C(C)OC(O)C(O)C2N(C)C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 14 |
| MolWt: | 914.05 | Num_heavy_atoms: | 64 |
| TPSA: | 238.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD13806
Formula: C25H38O9
Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC| HBA: | 9 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.57 | Num_heavy_atoms: | 34 |
| TPSA: | 125.43 | NumAromaticRings: | 0 |
