Glycoside
GD012741
Name:
NoneFormula:
C23H31O8N3Smiles:
CC1O[C@H](OC2C(O)C[C@H](OCCOC(=O)c3cnc4ccccc4n3)OC2C)CC(N)C1OAglycone:
CC1OC(O)CC(N)C1O.O=C(OCCO)c1cnc2ccccc2n1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.51 | Num_heavy_atoms: | 34 |
| TPSA: | 155.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD01040
Formula: C6H13O3N
Smiles:
CC1OC(O)CC(N)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 147.17 | Num_heavy_atoms: | 10 |
| TPSA: | 75.71 | NumAromaticRings: | 0 |
AD09573
Formula: C11H10O3N2
Smiles:
O=C(OCCO)c1cnc2ccccc2n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.21 | Num_heavy_atoms: | 16 |
| TPSA: | 72.31 | NumAromaticRings: | 2 |
