Glycoside
GD008956
Name:
NoneFormula:
C31H34O6N2Smiles:
CO[C@@H]1O[C@H](Cc2nnc(C)o2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
Cc1nnc(C)o1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.35 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 12 |
| MolWt: | 530.62 | Num_heavy_atoms: | 39 |
| TPSA: | 85.07 | NumAromaticRings: | 4 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD07085
Formula: C4H6ON2
Smiles:
Cc1nnc(C)o1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.1 | Num_heavy_atoms: | 7 |
| TPSA: | 38.92 | NumAromaticRings: | 1 |
