Glycoside
...
GD138921

Name:
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14a,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acid

Formula:
C49H80O18

Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C7(C)CCC8(C)C(O)CC(C)(C)CC8C7=CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4(C)C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: 1.09 Num_rotatable_bonds: 9
MolWt: 957.16 Num_heavy_atoms: 67
TPSA: 294.98 NumAromaticRings: 0

Unique Aglycone
AD56045
Formula: C31H52O3

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4(C)C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.94
AlogP: 6.5 Num_rotatable_bonds: 1
MolWt: 472.75 Num_heavy_atoms: 34
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD01195

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O