Glycoside
...
GD130168

Name:
2-{[(4a-carboxy-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-2-yl)methoxy]carbonyl}-10-hydroxy-2,6a,6b,9,12a-pentamethyl-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C66H102O14

Smiles:
CC1(COC(=O)C2(C)CCC3(C(=O)O)CCC4(C)C(=CCC5C6(C)CCC(O)C(C)(COC7OC(CO)C(O)C(O)C7O)C6CCC54C)C3C2)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(COC(=O)C2(C)CCC3(C(=O)O)CCC4(C)C(=CCC5C6(C)CCC(O)C(C)(CO)C6CCC54C)C3C2)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 11
HBD: 8 FractionCSP3: 0.89
AlogP: 9.78 Num_rotatable_bonds: 9
MolWt: 1119.53 Num_heavy_atoms: 80
TPSA: 240.74 NumAromaticRings: 0

Unique Aglycone
AD52743
Formula: C60H92O9

Smiles:
CC1(COC(=O)C2(C)CCC3(C(=O)O)CCC4(C)C(=CCC5C6(C)CCC(O)C(C)(CO)C6CCC54C)C3C2)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 9 RingCount: 10
HBD: 5 FractionCSP3: 0.88
AlogP: 11.96 Num_rotatable_bonds: 6
MolWt: 957.39 Num_heavy_atoms: 69
TPSA: 161.59 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O