Glycoside

GD037032
Name:
NoneFormula:
C34H40O14N4Smiles:
CC[C@]1(OC(=O)NCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(N)=O)[C@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Aglycone:
CCC1(OC(=O)NCCOCCOCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1Sugarmoiety:
NC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
HBA: | 18 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.5 |
AlogP: | -0.23 | Num_rotatable_bonds: | 14 |
MolWt: | 728.71 | Num_heavy_atoms: | 52 |
TPSA: | 249.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD20742
Formula: C27H29O8N3
Smiles:
CCC1(OC(=O)NCCOCCOCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1HBA: | 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 |