Glycoside
GD031755
Name:
NoneFormula:
C40H60O8N4Smiles:
COc1cc(C(C)C)c(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)NCCN3CCNCC3)cc2C)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)NCCN3CCNCC3)cc2C)c(C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 14 |
| MolWt: | 724.94 | Num_heavy_atoms: | 52 |
| TPSA: | 172.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD20441
Formula: C34H50O3N4
Smiles:
COc1ccc(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)NCCN3CCNCC3)cc2C)c(C(C)C)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 562.8 | Num_heavy_atoms: | 41 |
| TPSA: | 82.7 | NumAromaticRings: | 2 |
