Glycoside
...
GD006140

Name:
None

Formula:
C31H50O18

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

Aglycone:
CC1(O)CC(O)C2C=COC(O)C21.CC1(O)CC(O)C2CC(O)OC(O)C21

Sugarmoiety:
COC1C(O)C(O)OC(CO)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 10 FractionCSP3: 0.94
AlogP: -4.26 Num_rotatable_bonds: 9
MolWt: 710.72 Num_heavy_atoms: 49
TPSA: 276.14 NumAromaticRings: 0

Unique Aglycone
AD05108
Formula: C9H14O4

Smiles:
CC1(O)CC(O)C2C=COC(O)C21
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.78
AlogP: -0.4 Num_rotatable_bonds: 0
MolWt: 186.21 Num_heavy_atoms: 13
TPSA: 69.92 NumAromaticRings: 0
AD05109
Formula: C9H16O5

Smiles:
CC1(O)CC(O)C2CC(O)OC(O)C21
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 1.0
AlogP: -1.21 Num_rotatable_bonds: 0
MolWt: 204.22 Num_heavy_atoms: 14
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD01090

COC1C(O)C(O)OC(CO)C1O.OCC1OC(O)C(O)C(O)C1O