Glycoside
GD150865
Name:
6-{[4-(dimethylamino)-5-hydroxy-6-{[10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propanoyloxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4,5-dihydroxy-2,4-dimethyloxan-3-yl 2-methylpropanoateFormula:
C42H69O16NSmiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3OC(C)C(OC(=O)C(C)C)C(C)(O)C3O)C(N(C)C)C2O)C1OCAglycone:
CC(C)C(=O)O.CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1OC(C)C(O)C(C)(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 844.01 | Num_heavy_atoms: | 59 |
| TPSA: | 226.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
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 |
