Glycoside
GD079456
Name:
NoneFormula:
C20H29O6N3Smiles:
O=C(C(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
c1cncc(CN2CCC3(CCNCC3)C2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.47 | Num_heavy_atoms: | 29 |
| TPSA: | 134.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD36327
Formula: C14H21N3
Smiles:
c1cncc(CN2CCC3(CCNCC3)C2)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 231.34 | Num_heavy_atoms: | 17 |
| TPSA: | 28.16 | NumAromaticRings: | 1 |
