Glycoside
GD095572
Name:
NoneFormula:
C19H27O9N4Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N3CC[C@H]([NH3+])C3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.[NH3+]C1CCN(c2c[nH]c(=O)[nH]c2=O)C1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.44 | Num_heavy_atoms: | 32 |
| TPSA: | 173.87 | NumAromaticRings: | 1 |
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 |
AD40778
Formula: C8H13O2N4
Smiles:
[NH3+]C1CCN(c2c[nH]c(=O)[nH]c2=O)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 197.22 | Num_heavy_atoms: | 14 |
| TPSA: | 96.6 | NumAromaticRings: | 1 |
