Glycoside
GD033603
Name:
NoneFormula:
C27H44O14N6Smiles:
NC[C@@H]1O[C@H](O[C@H](Cc2cn(CCOCCOCCOCCOCCO)nn2)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=c1cc[nH]c(=O)[nH]1.OCCOCCOCCOCCOCCn1cc(CCO)nn1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -5.16 | Num_rotatable_bonds: | 21 |
| MolWt: | 676.68 | Num_heavy_atoms: | 47 |
| TPSA: | 277.35 | 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 |
AD21436
Formula: C14H27O6N3
Smiles:
OCCOCCOCCOCCOCCn1cc(CCO)nn1| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 16 |
| MolWt: | 333.39 | Num_heavy_atoms: | 23 |
| TPSA: | 108.09 | NumAromaticRings: | 1 |
