Glycoside
GD000495
Name:
NoneFormula:
C17H27O9N3Smiles:
CC(C)NC[C@@H]1O[C@H](OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CNC(C)C.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(COC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.42 | Num_heavy_atoms: | 29 |
| TPSA: | 175.5 | 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 |
AD00552
Formula: C4H11N
Smiles:
CNC(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.14 | Num_heavy_atoms: | 5 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
