Glycoside
...
GD014742

Name:
None

Formula:
C47H78O16NCl

Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](CCCl)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OC

Aglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCCl)CC(C)C(=O)C=CC(C)=CC1CO

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 5 FractionCSP3: 0.87
AlogP: 2.87 Num_rotatable_bonds: 13
MolWt: 936.57 Num_heavy_atoms: 64
TPSA: 221.6 NumAromaticRings: 0

Unique Aglycone
AD01591
Formula: C24H37O6Cl

Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCCl)CC(C)C(=O)C=CC(C)=CC1CO
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.74
AlogP: 3.02 Num_rotatable_bonds: 4
MolWt: 445.0 Num_heavy_atoms: 30
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00097

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OC