Glycoside
GD095072
Name:
NoneFormula:
C21H29O8N3Smiles:
C[C@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2Aglycone:
CC1CNCCC12CCC(C(=O)Nc1cccnc1)O2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.48 | Num_heavy_atoms: | 32 |
| TPSA: | 169.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD40605
Formula: C15H21O2N3
Smiles:
CC1CNCCC12CCC(C(=O)Nc1cccnc1)O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 275.35 | Num_heavy_atoms: | 20 |
| TPSA: | 63.25 | NumAromaticRings: | 1 |
