Glycoside
GD140250
Name:
9-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl propanoateFormula:
C38H63O15NSmiles:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C1OCAglycone:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 773.91 | Num_heavy_atoms: | 54 |
| TPSA: | 212.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD02311
Formula: C23H36O9
Smiles:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(O)C1OC| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.53 | Num_heavy_atoms: | 32 |
| TPSA: | 131.89 | NumAromaticRings: | 0 |
