Glycoside
...
GD141592

Name:
3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-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:
C70H114O37

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(OC5OCC(O)(CO)C5O)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(OC2OCC(O)(CO)C2O)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 12
HBD: 22 FractionCSP3: 0.96
AlogP: -8.31 Num_rotatable_bonds: 20
MolWt: 1547.65 Num_heavy_atoms: 107
TPSA: 591.35 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
SD08732

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O