Glycoside
GD155045
Name:
2-[9-({4-[(3,4-dihydroxy-5-methoxy-3-methylhexyl)oxy]-3-(dimethylamino)-5-methoxyhexyl}oxy)-3-ethyl-7-hydroxy-2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehydeFormula:
C48H85O17NSmiles:
CCC1OC(=O)CC(O)C(C)C(OCCC(C(OCCC(C)(O)C(O)C(C)OC)C(C)OC)N(C)C)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(OCCC(C(OCCC(C)(O)C(O)C(C)OC)C(C)OC)N(C)C)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 23 |
| MolWt: | 948.2 | Num_heavy_atoms: | 66 |
| TPSA: | 230.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD61534
Formula: C40H71O13N
Smiles:
CCC1OC(=O)CC(O)C(C)C(OCCC(C(OCCC(C)(O)C(O)C(C)OC)C(C)OC)N(C)C)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1CO| HBA: | 14 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 19 |
| MolWt: | 774.0 | Num_heavy_atoms: | 54 |
| TPSA: | 194.05 | NumAromaticRings: | 0 |
