Glycoside
GD095201
Name:
NoneFormula:
C21H29O8N3Smiles:
Cc1cccc(CN2CCO[C@H]3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@H]3C2=O)n1Aglycone:
Cc1cccc(CN2CCOC3CNCCC3C2=O)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.48 | Num_heavy_atoms: | 32 |
| TPSA: | 160.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD40641
Formula: C15H21O2N3
Smiles:
Cc1cccc(CN2CCOC3CNCCC3C2=O)n1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 275.35 | Num_heavy_atoms: | 20 |
| TPSA: | 54.46 | NumAromaticRings: | 1 |
