Glycoside
GD001537
Name:
NoneFormula:
C40H62O10N4Smiles:
CCC(=O)O[C@@H]1CC(=O)NCCCN(CCCc2ccnc3ccccc23)C[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H]1OCAglycone:
CCC(=O)OC1CC(=O)NCCCN(CCCc2ccnc3ccccc23)CC(O)C(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 12 |
| MolWt: | 758.95 | Num_heavy_atoms: | 54 |
| TPSA: | 180.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD01533
Formula: C32H47O7N3
Smiles:
CCC(=O)OC1CC(=O)NCCCN(CCCc2ccnc3ccccc23)CC(O)C(C)CC(CC=O)C(O)C1OC| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 585.74 | Num_heavy_atoms: | 42 |
| TPSA: | 138.29 | NumAromaticRings: | 2 |
