Glycoside
GD000193
Name:
NoneFormula:
C31H33O10N3SSmiles:
COc1ccccc1Cc1nc(-c2ccccc2)nn(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1=SAglycone:
COC(C)=O.COc1ccccc1Cc1nc(-c2ccccc2)n[nH]c1=SSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.39 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 639.68 | Num_heavy_atoms: | 45 |
| TPSA: | 154.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00231
Formula: C17H15ON3S
Smiles:
COc1ccccc1Cc1nc(-c2ccccc2)n[nH]c1=S| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 309.39 | Num_heavy_atoms: | 22 |
| TPSA: | 50.8 | NumAromaticRings: | 3 |
