Glycoside
GD034170
Name:
NoneFormula:
C41H62O8N4Smiles:
COc1cc(C(C)C)c(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)NCCN3CCN(C)CC3)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)NCCN3CCN(C)CC3)cc2C)c(C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 14 |
| MolWt: | 738.97 | Num_heavy_atoms: | 53 |
| TPSA: | 164.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD21752
Formula: C35H52O3N4
Smiles:
COc1ccc(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)NCCN3CCN(C)CC3)cc2C)c(C(C)C)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 576.83 | Num_heavy_atoms: | 42 |
| TPSA: | 73.91 | NumAromaticRings: | 2 |
