Glycoside
...
GD157285

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}-9-methoxy-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:
C52H84O21

Smiles:
COC1(C)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Aglycone:
COC1(C)C(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: 21 RingCount: 9
HBD: 11 FractionCSP3: 0.94
AlogP: 0.22 Num_rotatable_bonds: 11
MolWt: 1045.22 Num_heavy_atoms: 73
TPSA: 322.67 NumAromaticRings: 0

Unique Aglycone
AD62197
Formula: C30H48O4

Smiles:
COC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.61 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 66.76 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