Glycoside
...
GD138968

Name:
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 10-[(5-{[4-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-docosahydropicene-4a-carboxylate

Formula:
C65H108O32

Smiles:
CC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4CCC5(C)C(CCC6(C)C5CCC5C7CC(C)(C)CCC7(C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)CCC56C)C4(C)CO)C(O)C3O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 19 FractionCSP3: 0.98
AlogP: -5.67 Num_rotatable_bonds: 17
MolWt: 1401.55 Num_heavy_atoms: 97
TPSA: 512.2 NumAromaticRings: 0

Unique Aglycone
AD48126
Formula: C30H50O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.97
AlogP: 6.29 Num_rotatable_bonds: 2
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD08378

CC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O