Glycoside
GD065901
Name:
NoneFormula:
C15H21O7N3Smiles:
O=C(C(=O)N1CCC(Oc2cnccn2)CC1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1cnc(OC2CCNCC2)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 355.35 | Num_heavy_atoms: | 25 |
| TPSA: | 153.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD31677
Formula: C9H13ON3
Smiles:
c1cnc(OC2CCNCC2)cn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 47.04 | NumAromaticRings: | 1 |
