Glycoside
...
GD118620

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

Formula:
C60H96O27

Smiles:
CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)C(O)C(O)C3O)C(C)(CC(C)=O)C2CC4)O1

Aglycone:
CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CC(C)=O)C2CC4)O1

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

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 14 FractionCSP3: 0.93
AlogP: -2.63 Num_rotatable_bonds: 17
MolWt: 1249.4 Num_heavy_atoms: 87
TPSA: 418.89 NumAromaticRings: 0

Unique Aglycone
AD47446
Formula: C31H48O4

Smiles:
CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CC(C)=O)C2CC4)O1
HBA: 4 RingCount: 5
HBD: 1 FractionCSP3: 0.87
AlogP: 6.58 Num_rotatable_bonds: 4
MolWt: 484.72 Num_heavy_atoms: 35
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD05166

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