Glycoside
...
GD121590

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a,12b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C49H80O18

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6(C)C7(C)CCC(O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4(C)C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.94
AlogP: 0.53 Num_rotatable_bonds: 9
MolWt: 957.16 Num_heavy_atoms: 67
TPSA: 294.98 NumAromaticRings: 0

Unique Aglycone
AD48955
Formula: C31H50O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4(C)C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.6 Num_rotatable_bonds: 2
MolWt: 486.74 Num_heavy_atoms: 35
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00047

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O