Glycoside
...
GD152898

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,2,6a,6b,9,9,12a-heptamethyl-10-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-4a-carboxylate

Formula:
C43H68O12

Smiles:
CC1=C2C3=CCC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC1C

Aglycone:
CC1=C2C3=CCC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 8 FractionCSP3: 0.88
AlogP: 2.9 Num_rotatable_bonds: 6
MolWt: 777.01 Num_heavy_atoms: 55
TPSA: 206.6 NumAromaticRings: 0

Unique Aglycone
AD60839
Formula: C37H58O7

Smiles:
CC1=C2C3=CCC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C
HBA: 7 RingCount: 6
HBD: 5 FractionCSP3: 0.86
AlogP: 5.64 Num_rotatable_bonds: 4
MolWt: 614.86 Num_heavy_atoms: 44
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O