Glycoside

GD013071
Name:
NoneFormula:
C27H46O21N2Smiles:
CCCOC(=O)[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NAglycone:
CCCOC=OSugarmoiety:
NC1C(OC2C(C(=O)O)OC(OC3C(CO)OC(OC4C(O)OC(O)C(O)C4O)C(N)C3O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
HBA: | 23 | RingCount: | 4 |
HBD: | 15 | FractionCSP3: | 0.93 |
AlogP: | -8.76 | Num_rotatable_bonds: | 12 |
MolWt: | 734.66 | Num_heavy_atoms: | 50 |
TPSA: | 382.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD05188
Formula: C4H8O2
Smiles:
CCCOC=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.75 |
AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
MolWt: | 88.11 | Num_heavy_atoms: | 6 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
Sugarmoiety

SD01800
NC1C(OC2C(C(=O)O)OC(OC3C(CO)OC(OC4C(O)OC(O)C(O)C4O)C(N)C3O)C(O)C2O)OC(CO)C(O)C1O