Glycoside
GD144684
Name:
hexose-shinorineFormula:
C19H30O13N2Smiles:
COC1=C(NC(CO)C(=O)O)CC(O)(CO)CC1=NCC(=O)OC1C(CO)OC(O)C(O)C1OAglycone:
COC1=C(NC(CO)C(=O)O)CC(O)(CO)CC1=NCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.74 |
| AlogP: | -4.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 494.45 | Num_heavy_atoms: | 34 |
| TPSA: | 248.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD58121
Formula: C13H20O8N2
Smiles:
COC1=C(NC(CO)C(=O)O)CC(O)(CO)CC1=NCC(=O)O| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 168.91 | NumAromaticRings: | 0 |
