Glycoside
...
GD147681

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

Formula:
C53H86O22

Smiles:
CC1OC(OC2CCC3(C)C4CCC5=C(CCC6(C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)CCC(C)(C)CC56)C4(C)CCC3C2(C)C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 13 FractionCSP3: 0.94
AlogP: -1.25 Num_rotatable_bonds: 11
MolWt: 1075.25 Num_heavy_atoms: 75
TPSA: 353.9 NumAromaticRings: 0

Unique Aglycone
AD47165
Formula: C29H46O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.99 Num_rotatable_bonds: 1
MolWt: 442.68 Num_heavy_atoms: 32
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD09475

CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O