Glycoside
GD153018
Name:
1-methyl-7-oxo-6-(3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enamido)azepan-3-yl 3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoateFormula:
C29H50O12N2Smiles:
COC(C(=O)OC1CCC(N=C(O)C(OC)C(O)C(O)C(O)C=CC(C)C)C(=O)N(C)C1)C(O)C(O)C(O)C=CC(C)CAglycone:
C=CC(C)C.C=CC(C)C.CN1CCCCC(N)C1=OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)O.COC(C(=O)OO)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 16 |
| MolWt: | 618.72 | Num_heavy_atoms: | 43 |
| TPSA: | 219.04 | 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 |
AD03012
Formula: C7H14ON2
Smiles:
CN1CCCCC(N)C1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 142.2 | Num_heavy_atoms: | 10 |
| TPSA: | 46.33 | NumAromaticRings: | 0 |
