Glycoside
GD034753
Name:
NoneFormula:
C29H34O10N4Smiles:
NC[C@@H]1O[C@H](O[C@H](CNC(=O)c2ccc(OCc3ccccc3)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(OCc2ccccc2)cc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 598.61 | Num_heavy_atoms: | 43 |
| TPSA: | 207.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD22057
Formula: C24H25O7N3
Smiles:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1ccc(OCc2ccccc2)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 467.48 | Num_heavy_atoms: | 34 |
| TPSA: | 142.88 | NumAromaticRings: | 3 |
