Glycoside
GD034350
Name:
NoneFormula:
C38H57O8N3Smiles:
COc1cc(C(C)C)c(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)NCC(C)(C)N)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)NCC(C)(C)N)cc2C)c(C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 683.89 | Num_heavy_atoms: | 49 |
| TPSA: | 183.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD21843
Formula: C32H47O3N3
Smiles:
COc1ccc(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)NCC(C)(C)N)cc2C)c(C(C)C)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 11 |
| MolWt: | 521.75 | Num_heavy_atoms: | 38 |
| TPSA: | 93.45 | NumAromaticRings: | 2 |
