Glycoside
...
GD122527

Name:
10-({2'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl}oxy)-5,6-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C46H74O18

Smiles:
CC1(C)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)CCC(OC5(C6(C7OC(CO)C(O)C7O)OCC(O)C(O)C6O)OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Aglycone:
CC1(C)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:
OCC1OC(O)(C2(C3OC(CO)C(O)C3O)OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 13 FractionCSP3: 0.93
AlogP: -1.3 Num_rotatable_bonds: 7
MolWt: 915.08 Num_heavy_atoms: 64
TPSA: 316.98 NumAromaticRings: 0

Unique Aglycone
AD15264
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 1
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD06000

OCC1OC(O)(C2(C3OC(CO)C(O)C3O)OCC(O)C(O)C2O)C(O)C(O)C1O