Glycoside
...
GD144813

Name:
5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-{[9-({3-[(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)-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-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C61H100O26

Smiles:
CCC1OC(OC2C(OC3CC(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C5(C)CCC34C)OC(C)C(O)C2O)C(O)C(O)C1O

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

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.CCC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 10
HBD: 15 FractionCSP3: 0.95
AlogP: -1.2 Num_rotatable_bonds: 14
MolWt: 1249.45 Num_heavy_atoms: 87
TPSA: 412.82 NumAromaticRings: 0

Unique Aglycone
AD00828
Formula: C30H50O3

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(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
SD09134

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.CCC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O