Glycoside
GD009603
Name:
NoneFormula:
C15H20O6N6Smiles:
CCCn1cnnc1CNC(=O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCn1cnnc1CNC=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 380.36 | Num_heavy_atoms: | 27 |
| TPSA: | 164.36 | NumAromaticRings: | 2 |
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 |
AD07517
Formula: C7H12ON4
Smiles:
CCCn1cnnc1CNC=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 168.2 | Num_heavy_atoms: | 12 |
| TPSA: | 59.81 | NumAromaticRings: | 1 |
