Glycoside
GD106114
Name:
NoneFormula:
C30H30O14N4Smiles:
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O[C@H](/C=N\c2ccc3c(c2)C(=O)NC3=O)[C@H](CO)O[C@H](O)/C=N/c2ccc3c(c2)C(=O)NC3=O)[C@H]1OAglycone:
O=C1NC(=O)c2cc(N=CC(O)OC(CO)C(O)C=Nc3ccc4c(c3)C(=O)NC4=O)ccc21Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 12 |
| MolWt: | 670.58 | Num_heavy_atoms: | 48 |
| TPSA: | 272.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD44116
Formula: C22H18O8N4
Smiles:
O=C1NC(=O)c2cc(N=CC(O)OC(CO)C(O)C=Nc3ccc4c(c3)C(=O)NC4=O)ccc21| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 466.41 | Num_heavy_atoms: | 34 |
| TPSA: | 186.98 | NumAromaticRings: | 2 |
