Glycoside
GD011421
Name:
NoneFormula:
C28H40O7N4Smiles:
CCC[C@@H]1[C@@H]2CCc3cc(OCc4cn([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn4)ccc3[C@H]2CC[C@]1(C)C=NOAglycone:
CCCC1C2CCc3cc(OCC4=C[N]N=N4)ccc3C2CCC1(C)C=NOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 544.65 | Num_heavy_atoms: | 39 |
| TPSA: | 162.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD00228
Formula: C22H29O2N4
Smiles:
CCCC1C2CCc3cc(OCC4=C[N]N=N4)ccc3C2CCC1(C)C=NO| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.5 | Num_heavy_atoms: | 28 |
| TPSA: | 80.64 | NumAromaticRings: | 1 |
