Glycoside
GD033614
Name:
NoneFormula:
C37H43O17N3Smiles:
CC[C@]1(OC(=O)NCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(C)=O)[C@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Aglycone:
CCC1(OC(=O)NCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Sugarmoiety:
CC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 801.75 | Num_heavy_atoms: | 57 |
| TPSA: | 284.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD07323
Formula: C23H21O6N3
Smiles:
CCC1(OC(=O)NCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 435.44 | Num_heavy_atoms: | 32 |
| TPSA: | 119.75 | NumAromaticRings: | 3 |
