Glycoside
GD007225
Name:
NoneFormula:
C28H38O9N4Smiles:
NC[C@@H]1O[C@H](O[C@H](CNC(=O)c2ccc(C3CCCCC3)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)c1ccc(C2CCCCC2)cc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 574.63 | Num_heavy_atoms: | 41 |
| TPSA: | 198.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD05897
Formula: C23H29O6N3
Smiles:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1ccc(C2CCCCC2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.5 | Num_heavy_atoms: | 32 |
| TPSA: | 133.65 | NumAromaticRings: | 2 |
