Glycoside
...
GD129366

Name:
3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl 9-ethyl-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C65H106O33

Smiles:
CCC1(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)OC3OCC(O)C(O)C3OC3OC(C)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)CC21C

Aglycone:
CCC1(CO)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)C(O)CC21C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 11
HBD: 20 FractionCSP3: 0.95
AlogP: -6.78 Num_rotatable_bonds: 17
MolWt: 1415.53 Num_heavy_atoms: 98
TPSA: 532.43 NumAromaticRings: 0

Unique Aglycone
AD48363
Formula: C31H50O6

Smiles:
CCC1(CO)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)C(O)CC21C
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.54 Num_rotatable_bonds: 3
MolWt: 518.74 Num_heavy_atoms: 37
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD05552

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O