Glycoside
...
GD014707

Name:
None

Formula:
C49H75O16N

Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](N(C)C)[C@H]2OC(C)=O)[C@H](CCOc2ccccc2)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(CCOc2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1N(C)C.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 2 FractionCSP3: 0.71
AlogP: 4.58 Num_rotatable_bonds: 15
MolWt: 934.13 Num_heavy_atoms: 66
TPSA: 204.28 NumAromaticRings: 1

Unique Aglycone
AD00589
Formula: C29H42O7

Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOc2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.59
AlogP: 3.86 Num_rotatable_bonds: 6
MolWt: 502.65 Num_heavy_atoms: 36
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD01941

CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1N(C)C.COC1C(O)OC(C)C(O)C1OC