Glycoside
...
GD001861

Name:
3Beta-O-[Beta-D-Glucopyranosyl-(1->4)-Beta-D-Glucopyranosyl-(1->3)-Alpha-Larabinopyranosyl]Echinocystic Acid 28-O-[Alpha-L-Rhamnopyranosyl-(1->4)-Alpha-D-Glucopyranosyl-(1->3)-Alpha-D-Glucopyranosyl-(1->6)-Beta-Dglucopyranosyl]Ester

Formula:
C71H116O37

Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](OC[C@@H]4O[C@H](OC(=O)[C@@]56CCC(C)(C)C[C@H]5C5=CC[C@@H]7[C@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H]9O)C(C)(C)[C@H]8CC[C@@]7(C)[C@@]5(C)C[C@H]6O)[C@H](O)[C@H](O)[C@H]4O)O[C@@H](CO)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OCC4OC(O)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OC3C(O)COC(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 12
HBD: 22 FractionCSP3: 0.96
AlogP: -7.93 Num_rotatable_bonds: 19
MolWt: 1561.67 Num_heavy_atoms: 108
TPSA: 591.35 NumAromaticRings: 0

Unique Aglycone
AD00309
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.2 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00453

CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OCC4OC(O)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OC3C(O)COC(O)C3O)C(O)C2O)C(O)C(O)C1O