Glycoside
...
GD121975

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

Formula:
C48H78O17

Smiles:
CC1OC(OC2C(OC3C(OC4CC(C)(CO)C5CCC6(C)C(CC=C7C8CC(C)(C)CC(O)C8(C)CCC76C)C5(C)C4)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)CC1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CC(O)CC(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)CC1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.94
AlogP: 1.73 Num_rotatable_bonds: 9
MolWt: 927.14 Num_heavy_atoms: 65
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD49123
Formula: C30H50O3

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CC(O)CC(C)(CO)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 1
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD05902

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)CC1O