Glycoside
GD117384
Name:
1-methyl-7-oxo-6-(3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enamido)azepan-3-yl 12-methyltridecanoateFormula:
C32H58O8N2Smiles:
COC(C(O)=NC1CCC(OC(=O)CCCCCCCCCCC(C)C)CN(C)C1=O)C(O)C(O)C(O)C=CC(C)CAglycone:
C=CC(C)C.CC(C)CCCCCCCCCCC(=O)OC1CCC(N)C(=O)N(C)C1Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 20 |
| MolWt: | 598.82 | Num_heavy_atoms: | 42 |
| TPSA: | 149.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00557
Formula: C5H10
Smiles:
C=CC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 70.13 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD46793
Formula: C21H40O3N2
Smiles:
CC(C)CCCCCCCCCCC(=O)OC1CCC(N)C(=O)N(C)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 368.56 | Num_heavy_atoms: | 26 |
| TPSA: | 72.63 | NumAromaticRings: | 0 |
