Glycoside
GD032449
Name:
NoneFormula:
C38H55O8N3Smiles:
COc1cc(C(C)C)c(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)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)N3CCN(C)CC3)cc2)c(C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 681.87 | Num_heavy_atoms: | 49 |
| TPSA: | 152.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD20815
Formula: C32H45O3N3
Smiles:
COc1ccc(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c(C(C)C)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 519.73 | Num_heavy_atoms: | 38 |
| TPSA: | 61.88 | NumAromaticRings: | 2 |
