Glycoside
...
GD148195

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

Formula:
C47H72O20

Smiles:
CC1=C(CO)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C(=O)O)C5CCC43C)C12

Aglycone:
CC1=C(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.87
AlogP: -1.26 Num_rotatable_bonds: 10
MolWt: 957.07 Num_heavy_atoms: 67
TPSA: 332.28 NumAromaticRings: 0

Unique Aglycone
AD55773
Formula: C30H44O6

Smiles:
CC1=C(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.8
AlogP: 5.19 Num_rotatable_bonds: 3
MolWt: 500.68 Num_heavy_atoms: 36
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD01281

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O