Glycoside
...
GD027214

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-8-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,11a-tetramethyl-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:
C59H98O27

Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](OC[C@@H]3O[C@H](OC(=O)[C@@]45CC[C@H](C(C)(C)O)[C@H]4[C@@H]4CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]8OC[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@](C)(CO)[C@H]7CC[C@@]6(C)[C@@]4(C)CC5)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(C)(O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 16 FractionCSP3: 0.98
AlogP: -3.49 Num_rotatable_bonds: 14
MolWt: 1239.41 Num_heavy_atoms: 86
TPSA: 433.05 NumAromaticRings: 0

Unique Aglycone
AD17909
Formula: C30H50O5

Smiles:
CC(C)(O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.97
AlogP: 5.26 Num_rotatable_bonds: 3
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD01089

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O