Glycoside
...
GD114219

Name:
10-{[3-({4-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,12a-hexamethyl-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:
C51H82O20

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3C)OCC(O)C2O)C(O)C(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O

Aglycone:
CC1C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 11 FractionCSP3: 0.94
AlogP: 0.45 Num_rotatable_bonds: 10
MolWt: 1015.2 Num_heavy_atoms: 71
TPSA: 313.44 NumAromaticRings: 0

Unique Aglycone
AD44910
Formula: C29H46O3

Smiles:
CC1C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.84 Num_rotatable_bonds: 1
MolWt: 442.68 Num_heavy_atoms: 32
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00616

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O