Glycoside
GD107325
Name:
NoneFormula:
C22H35O11N3Smiles:
CC(=O)OC[C@@H]1O[C@H](OC2NC3CCC(C)CC3N(O)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC1CCC2NC(O)NN(O)C2C1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 517.53 | Num_heavy_atoms: | 36 |
| TPSA: | 171.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44298
Formula: C8H17O2N3
Smiles:
CC1CCC2NC(O)NN(O)C2C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 187.24 | Num_heavy_atoms: | 13 |
| TPSA: | 67.76 | NumAromaticRings: | 0 |
