Glycoside
GD000332
Name:
LithospermosideFormula:
C14H19O8NSmiles:
N#CC=C1C=CC(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
N#CC=C1C=CC(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.31 | Num_heavy_atoms: | 23 |
| TPSA: | 163.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD00376
Formula: C8H9O3N
Smiles:
N#CC=C1C=CC(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.16 | Num_heavy_atoms: | 12 |
| TPSA: | 84.48 | NumAromaticRings: | 0 |
