Glycoside
GD036946
Name:
NoneFormula:
C41H51O19N3Smiles:
CC[C@]1(OC(=O)NCCOCCOCCO[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)NCCOCCOCCO)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: | 22 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 17 |
| MolWt: | 889.86 | Num_heavy_atoms: | 63 |
| TPSA: | 302.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD20742
Formula: C27H29O8N3
Smiles:
CCC1(OC(=O)NCCOCCOCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1| HBA: | 11 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 523.54 | Num_heavy_atoms: | 38 |
| TPSA: | 138.21 | NumAromaticRings: | 3 |
