Glycoside
...
GD027895

Name:
[8a-({[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]oxy}carbonyl)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxidanesulfonic acid

Formula:
C48H78O21S

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@@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@]7(C)CC[C@H](OS(=O)(=O)O)[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:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(CO)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: -0.03 Num_rotatable_bonds: 11
MolWt: 1023.2 Num_heavy_atoms: 70
TPSA: 338.35 NumAromaticRings: 0

Unique Aglycone
AD00614
Formula: C30H48O7S

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(CO)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.03 Num_rotatable_bonds: 4
MolWt: 552.77 Num_heavy_atoms: 38
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD00047

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