Glycoside
GD093873
Name:
NoneFormula:
C22H31O9N2Smiles:
COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2Aglycone:
COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)NC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.5 | Num_heavy_atoms: | 33 |
| TPSA: | 158.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD40470
Formula: C16H23O3N2
Smiles:
COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)NC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.37 | Num_heavy_atoms: | 21 |
| TPSA: | 52.0 | NumAromaticRings: | 1 |
