Glycoside
...
GD107686

Name:
None

Formula:
C41H58O18

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)[C@@H]1OC(C)=O

Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:
CC(=O)OC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 5 FractionCSP3: 0.83
AlogP: 0.29 Num_rotatable_bonds: 10
MolWt: 838.9 Num_heavy_atoms: 59
TPSA: 260.34 NumAromaticRings: 0

Unique Aglycone
AD00229
Formula: C23H32O6

Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 1.9 Num_rotatable_bonds: 2
MolWt: 404.5 Num_heavy_atoms: 29
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD04218

CC(=O)OC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC(C)=O)C1OC(C)=O