Glycoside
...
GD139427

Name:
7-{[6-({[3-({4-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-(hydroxymethyl)-3a,4',6,9a,11a-pentamethyl-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-3,5'-dione

Formula:
C59H92O31

Smiles:
CC1CC2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)C(O)C(O)C3O)C(C)(CO)C2CC4)OC1=O

Aglycone:
CC1CC2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)OC1=O

Sugarmoiety:
CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 11
HBD: 16 FractionCSP3: 0.93
AlogP: -6.16 Num_rotatable_bonds: 16
MolWt: 1297.35 Num_heavy_atoms: 90
TPSA: 477.81 NumAromaticRings: 0

Unique Aglycone
AD56221
Formula: C26H38O5

Smiles:
CC1CC2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)OC1=O
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.85
AlogP: 3.95 Num_rotatable_bonds: 1
MolWt: 430.59 Num_heavy_atoms: 31
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD05407

CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1O