Glycoside
GD009923
Name:
NoneFormula:
C35H46O10N8Smiles:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCc5cn(CCO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=OAglycone:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCc5cn(CCO)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 16 |
| MolWt: | 738.8 | Num_heavy_atoms: | 53 |
| TPSA: | 223.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD07734
Formula: C29H36O5N8
Smiles:
CN(C)CCCN1C(=O)c2ccc3c4c(c(NCc5cn(CCO)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=O| HBA: | 13 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 13 |
| MolWt: | 576.66 | Num_heavy_atoms: | 42 |
| TPSA: | 144.21 | NumAromaticRings: | 3 |
