Glycoside
GD034730
Name:
NoneFormula:
C28H33O10N5Smiles:
NC[C@@H]1O[C@H](O[C@H](CNC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)Nc1ccc(Oc2ccccc2)cc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.6 | Num_heavy_atoms: | 43 |
| TPSA: | 219.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD22045
Formula: C23H24O7N4
Smiles:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)Nc1ccc(Oc2ccccc2)cc1| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.47 | Num_heavy_atoms: | 34 |
| TPSA: | 154.91 | NumAromaticRings: | 3 |
