Glycoside
GD028597
Name:
NoneFormula:
C31H35O12N3Smiles:
CC[C@]1(OC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Aglycone:
CCC1(OC(=O)NCCOCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 641.63 | Num_heavy_atoms: | 46 |
| TPSA: | 208.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD18670
Formula: C25H25O7N3
Smiles:
CCC1(OC(=O)NCCOCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.49 | Num_heavy_atoms: | 35 |
| TPSA: | 128.98 | NumAromaticRings: | 3 |
