Glycoside
GD108492
Name:
NoneFormula:
C29H36O9NSmiles:
COc1cc2c(cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](CC1CC[NH+](Cc3ccccc3)CC1)C2Aglycone:
COc1cc2c(cc1O)C(=O)C(CC1CC[NH+](Cc3ccccc3)CC1)C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 542.61 | Num_heavy_atoms: | 39 |
| TPSA: | 147.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD44437
Formula: C23H28O3N
Smiles:
COc1cc2c(cc1O)C(=O)C(CC1CC[NH+](Cc3ccccc3)CC1)C2| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.48 | Num_heavy_atoms: | 27 |
| TPSA: | 50.97 | NumAromaticRings: | 2 |
