Glycoside
...
GD131775

Name:
6-{[(5-{[4-({6-[({5-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl 10-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-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-carboxylate

Formula:
C88H144O49

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(OC8OC(C)C(O)C(OC9OC(COC%10OC(CO)C(OC%11OC(C)C(O)C(OC%12OC(CO)C(O)C(O)C%12O)C%11O)C(O)C%10O)C(O)C(O)C9O)C8O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

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

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(OC4C(O)C(C)OC(OC5C(CO)OC(OCC6OC(O)C(O)C(O)C6O)C(O)C5O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 49 RingCount: 15
HBD: 28 FractionCSP3: 0.97
AlogP: -11.76 Num_rotatable_bonds: 26
MolWt: 1986.07 Num_heavy_atoms: 137
TPSA: 768.11 NumAromaticRings: 0

Unique Aglycone
AD00356
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.21 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD07415

CC1OC(OC2C(CO)OC(OCC3OC(OC4C(O)C(C)OC(OC5C(CO)OC(OCC6OC(O)C(O)C(O)C6O)C(O)C5O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O