Glycoside
GD129628
Name:
6-[(6-{[4-(acetyloxy)-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(propanoyloxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl pentanoateFormula:
C45H73O16NSmiles:
CCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(OC(=O)CC)C=CC=CCC(C)OC(=O)CC(OC(C)=O)C3OC)C(O)C2N(C)C)CC1(C)OAglycone:
CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(OC(C)=O)C(OC)C(O)C(CC=O)CC1C.CCCCC(=O)OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 15 |
| MolWt: | 884.07 | Num_heavy_atoms: | 62 |
| TPSA: | 212.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD01564
Formula: C5H10O2
Smiles:
CCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD06806
Formula: C25H38O9
Smiles:
CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(OC(C)=O)C(OC)C(O)C(CC=O)CC1C| 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 |
