Glycoside
...
GD029839

Name:
3-O-Beta-D-Glucopyranosyl(1->6)-Beta-D-Glucopyranosyl,28-O-[Alpha-L-Rhamnosyl(1->2)-Beta-D-Glucopyranosyl-16-Deoxybarringtogenol C

Formula:
C54H90O23

Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](OC[C@@]34CC[C@]5(C)C(=CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@H]7CC[C@]65C)[C@H]3CC(C)(C)[C@H](O)[C@H]4O)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CO)C(O)C1O

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 15 FractionCSP3: 0.96
AlogP: -2.59 Num_rotatable_bonds: 12
MolWt: 1107.29 Num_heavy_atoms: 77
TPSA: 377.29 NumAromaticRings: 0

Unique Aglycone
AD07384
Formula: C30H50O4

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CO)C(O)C1O
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 5.08 Num_rotatable_bonds: 1
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD02919

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O