Glycoside
...
GD014423

Name:
CYNAURICUOSIDE A

Formula:
C70H108O24

Smiles:
CO[C@H]1C[C@@H](COC[C@@H]2[C@@H](C)O[C@@H](COC[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@]6(O)[C@H]5C[C@H](OC(=O)C=Cc5ccccc5)[C@]5(C)[C@](O)(C(C)=O)CC[C@]65O)C4)C[C@H]3OC)C[C@H]2OC)O[C@@H](C)[C@H]1COC[C@@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](C)O1

Aglycone:
COC1CC(COCC2C(C)OC(COCC3C(C)OC(COCC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 7 FractionCSP3: 0.83
AlogP: 3.93 Num_rotatable_bonds: 25
MolWt: 1333.61 Num_heavy_atoms: 94
TPSA: 314.2 NumAromaticRings: 1

Unique Aglycone
AD10607
Formula: C64H98O19

Smiles:
COC1CC(COCC2C(C)OC(COCC3C(C)OC(COCC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O
HBA: 19 RingCount: 9
HBD: 4 FractionCSP3: 0.81
AlogP: 6.11 Num_rotatable_bonds: 22
MolWt: 1171.47 Num_heavy_atoms: 83
TPSA: 235.05 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O