Glycoside
GD086670
Name:
NoneFormula:
C19H29O10N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCNC(=O)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.[NH3+]C1CCNC(=O)C1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]Other Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 445.45 | Num_heavy_atoms: | 31 |
| TPSA: | 160.14 | 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 |
AD38343
Formula: C5H11ON2
Smiles:
[NH3+]C1CCNC(=O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 115.16 | Num_heavy_atoms: | 8 |
| TPSA: | 56.74 | NumAromaticRings: | 0 |
