Glycoside
...
GD151212

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

Formula:
C47H74O18

Smiles:
CC1OC(OC2C(O)CC(OCC3OC(OC(=O)C45CCC(C)(O)CC4C4=CCC6C7(C)CCC(O)C(C)(C=O)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O

Aglycone:
CC1(O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)CC(OCC3OC(O)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.91
AlogP: 0.1 Num_rotatable_bonds: 9
MolWt: 927.09 Num_heavy_atoms: 65
TPSA: 291.82 NumAromaticRings: 0

Unique Aglycone
AD50015
Formula: C29H44O5

Smiles:
CC1(O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.86
AlogP: 5.14 Num_rotatable_bonds: 2
MolWt: 472.67 Num_heavy_atoms: 34
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD09883

CC1OC(OC2C(O)CC(OCC3OC(O)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O