Glycoside
GD082016
Name:
NoneFormula:
C19H30O6N4Smiles:
Cc1cc(N2CCC(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2)ncn1Aglycone:
Cc1cc(N2CCC(C(=O)NCCO)CC2)ncn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.47 | Num_heavy_atoms: | 29 |
| TPSA: | 137.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD36827
Formula: C13H20O2N4
Smiles:
Cc1cc(N2CCC(C(=O)NCCO)CC2)ncn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 264.33 | Num_heavy_atoms: | 19 |
| TPSA: | 78.35 | NumAromaticRings: | 1 |
