Glycoside
...
GD038735

Name:
2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside

Formula:
C66H114O36

Smiles:
CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@@H](OCCO[C@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4O)C[C@H]4C[C@H](OCCO[C@H]5O[C@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@@H]6O)[C@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3C[C@H](OCCO[C@H]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@]12C

Aglycone:
CCCC(C)C1CCC2C3C(OCCO)CC4CC(OCCO)CCC4(C)C3CC(OCCO)C12C

Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 10
HBD: 21 FractionCSP3: 1.0
AlogP: -8.62 Num_rotatable_bonds: 30
MolWt: 1483.6 Num_heavy_atoms: 102
TPSA: 563.28 NumAromaticRings: 0

Unique Aglycone
AD24116
Formula: C30H54O6

Smiles:
CCCC(C)C1CCC2C3C(OCCO)CC4CC(OCCO)CCC4(C)C3CC(OCCO)C12C
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 1.0
AlogP: 4.43 Num_rotatable_bonds: 12
MolWt: 510.76 Num_heavy_atoms: 36
TPSA: 88.38 NumAromaticRings: 0

Sugarmoiety
SD00224

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O