Glycoside
...
GD024706

Name:
(3Beta,4Alpha,22Beta)-22-[[2-O-(6-Deoxy-Alpha-L-Mannopyranosyl)-Beta-D-Glucopyranosyl]Oxy]-23-Hydroxyolean-12-En-3-Yl O-6-Deoxy-Alpha-L-Mannopyranosyl-(1->2)-O-Beta-D-Galactopyranosyl-(1->2)-Beta-D-Glucopyranosiduronic Acid

Formula:
C60H98O27

Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@H]3[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7CC(C)(C)C[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O)[C@@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@@H](C(=O)O)[C@@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 16 FractionCSP3: 0.95
AlogP: -2.62 Num_rotatable_bonds: 14
MolWt: 1251.42 Num_heavy_atoms: 87
TPSA: 433.05 NumAromaticRings: 0

Unique Aglycone
AD00828
Formula: C30H50O3

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 1
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD02608

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O