Glycoside
...
GD128217

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

Formula:
C58H92O28

Smiles:
CC1OC(OC(=O)C23CCC4C(=CCC5C4(C)CCC4C5(C)CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C(=O)O)C2CC(C)(C)CC3)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C4(C)CC(O)C(O)C3(C)C(=O)O)C2C1

Sugarmoiety:
CC1OC(O)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 16 FractionCSP3: 0.93
AlogP: -3.87 Num_rotatable_bonds: 13
MolWt: 1237.35 Num_heavy_atoms: 86
TPSA: 450.12 NumAromaticRings: 0

Unique Aglycone
AD47314
Formula: C29H44O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C4(C)CC(O)C(O)C3(C)C(=O)O)C2C1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.86
AlogP: 4.88 Num_rotatable_bonds: 2
MolWt: 488.67 Num_heavy_atoms: 35
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD02387

CC1OC(O)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O