Glycoside
GD004089
Name:
NoneFormula:
C14H22O7N4Smiles:
NC(CC[C@H](N)C(=O)O)C[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CC(N)CCC(N)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.35 | Num_heavy_atoms: | 25 |
| TPSA: | 193.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00447
Formula: C6H14O2N2
Smiles:
CC(N)CCC(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 89.34 | NumAromaticRings: | 0 |
