Glycoside
GD015079
Name:
NoneFormula:
C29H31O8N6ClSmiles:
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 615.04 | Num_heavy_atoms: | 43 |
| TPSA: | 198.1 | NumAromaticRings: | 4 |
Unique Aglycone
AD11007
Formula: C23H23O2N6Cl
Smiles:
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2O)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 438.92 | Num_heavy_atoms: | 31 |
| TPSA: | 101.88 | NumAromaticRings: | 4 |
