Glycoside
GD036318
Name:
NoneFormula:
C34H38O11N4Smiles:
CCCCc1nc(C(C)C)c(CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1Aglycone:
CCCCc1nc(C(C)C)c(CC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 678.7 | Num_heavy_atoms: | 49 |
| TPSA: | 227.3 | NumAromaticRings: | 4 |
Unique Aglycone
AD22920
Formula: C28H30O5N4
Smiles:
CCCCc1nc(C(C)C)c(CC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 502.57 | Num_heavy_atoms: | 37 |
| TPSA: | 131.08 | NumAromaticRings: | 4 |
