Glycoside
...
GD116041

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

Formula:
C55H88O25

Smiles:
COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 14 FractionCSP3: 0.93
AlogP: -2.88 Num_rotatable_bonds: 13
MolWt: 1149.28 Num_heavy_atoms: 80
TPSA: 400.43 NumAromaticRings: 0

Unique Aglycone
AD22932
Formula: C31H48O5

Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.39 Num_rotatable_bonds: 2
MolWt: 500.72 Num_heavy_atoms: 36
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD04762

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O