Glycoside
...
GD150718

Name:
6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C54H86O25

Smiles:
CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 15 FractionCSP3: 0.93
AlogP: -3.89 Num_rotatable_bonds: 13
MolWt: 1135.26 Num_heavy_atoms: 79
TPSA: 411.43 NumAromaticRings: 0

Unique Aglycone
AD00118
Formula: C30H46O5

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.38 Num_rotatable_bonds: 2
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD07307

OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O