Glycoside
GD014232
Name:
NoneFormula:
C27H29O5NSmiles:
OC[C@@H]1O[C@H](c2ccc3c(c2)[C@H](c2ccc(-c4ccccc4)cc2)NCC3)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc(-c2ccc(C3NCCc4ccccc43)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.53 | Num_heavy_atoms: | 33 |
| TPSA: | 102.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD10493
Formula: C21H19N
Smiles:
c1ccc(-c2ccc(C3NCCc4ccccc43)cc2)cc1| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.39 | Num_heavy_atoms: | 22 |
| TPSA: | 12.03 | NumAromaticRings: | 3 |
