Glycoside
...
GD139452

Name:
8a-[({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)carbonyl]-3-hydroxy-4,6a,6b,11,11-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,14b-dicarboxylic acid

Formula:
C53H82O24

Smiles:
CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C(=O)O)CCC(O)C(C)(C(=O)O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

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

Sugarmoiety:
CC1OC(O)C(OC2OC(C)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 13 FractionCSP3: 0.91
AlogP: -1.21 Num_rotatable_bonds: 11
MolWt: 1103.22 Num_heavy_atoms: 77
TPSA: 388.04 NumAromaticRings: 0

Unique Aglycone
AD45429
Formula: C30H44O7

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C(=O)O)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.83
AlogP: 5.36 Num_rotatable_bonds: 3
MolWt: 516.68 Num_heavy_atoms: 37
TPSA: 132.13 NumAromaticRings: 0

Sugarmoiety
SD08448

CC1OC(O)C(OC2OC(C)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O