Glycoside
GD073323
Name:
NoneFormula:
C18H26O7N2Smiles:
O=C(NCC1(Cc2ccncc2)CCOCC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCC1(Cc2ccncc2)CCOCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 382.41 | Num_heavy_atoms: | 27 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD34015
Formula: C12H18ON2
Smiles:
NCC1(Cc2ccncc2)CCOCC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.29 | Num_heavy_atoms: | 15 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
