Glycoside
GD020809
Name:
NoneFormula:
C18H26O8N6Smiles:
O=NN(CCNC(=O)[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)C(=O)NC1CCCCC1Aglycone:
O=CNCCN(N=O)C(=O)NC1CCCCC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.44 | Num_heavy_atoms: | 32 |
| TPSA: | 195.42 | 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 |
AD11423
Formula: C10H18O3N4
Smiles:
O=CNCCN(N=O)C(=O)NC1CCCCC1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 242.28 | Num_heavy_atoms: | 17 |
| TPSA: | 90.87 | NumAromaticRings: | 0 |
