Glycoside
...
GD126086

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-(hydroxymethyl)-2,2,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C52H84O22

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC6C(=CCC7C6(C)CCC6C(C)(CO)C(OC8OCC(O)C(O)C8O)CCC67C)C4CC(C)(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 13 FractionCSP3: 0.94
AlogP: -1.79 Num_rotatable_bonds: 11
MolWt: 1061.22 Num_heavy_atoms: 74
TPSA: 353.9 NumAromaticRings: 0

Unique Aglycone
AD45987
Formula: C29H46O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 5.82 Num_rotatable_bonds: 2
MolWt: 458.68 Num_heavy_atoms: 33
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00364

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O