Glycoside
GD088817
Name:
NoneFormula:
C19H31O10N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC[C@@]2(O)CC[NH2+]C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NCC1(O)CC[NH2+]C1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 447.46 | Num_heavy_atoms: | 31 |
| TPSA: | 163.3 | 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 |
AD38861
Formula: C5H13ON2
Smiles:
NCC1(O)CC[NH2+]C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 117.17 | Num_heavy_atoms: | 8 |
| TPSA: | 62.86 | NumAromaticRings: | 0 |
