Glycoside
GD133763
Name:
9-hexyl-15,17-dihydroxy-19-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2-methyl-7H,8H,9H,10H,11H,12H,13H,14H,15H,16H,18H,19H,20H,20aH-cyclopenta[i]azacyclononadecane-7,11,18-trioneFormula:
C35H53O9NSmiles:
CCCCCCC1CC(=O)CCCC(O)CC(O)=C2C(=O)C(OC3CC(OC)C(O)C(C)O3)CC2C=C(C)C=CC=CC(=O)N1Aglycone:
CCCCCCC1CC(=O)CCCC(O)CC(O)=C2C(=O)C(O)CC2C=C(C)C=CC=CC(=O)N1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 631.81 | Num_heavy_atoms: | 45 |
| TPSA: | 151.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD54123
Formula: C28H41O6N
Smiles:
CCCCCCC1CC(=O)CCCC(O)CC(O)=C2C(=O)C(O)CC2C=C(C)C=CC=CC(=O)N1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 487.64 | Num_heavy_atoms: | 35 |
| TPSA: | 123.93 | NumAromaticRings: | 0 |
