Glycoside
...
GD115956

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 11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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:
C53H86O23

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(OC8OCC(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(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.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 14 FractionCSP3: 0.94
AlogP: -2.43 Num_rotatable_bonds: 11
MolWt: 1091.25 Num_heavy_atoms: 76
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD00478
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 2
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 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