Glycoside
...
GD131803

Name:
7-[(6-{[(3-{[4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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)-3',3a,6,9a,11a-pentamethyl-5'-propanoyl-1,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-2,2'-oxolan]-3-one

Formula:
C62H98O31

Smiles:
CCC(=O)C1CC(C)C2(CC3(C)CCC4=C(CCC5C4(C)CCC(OC4OC(COC6OCC(O)C(O)C6OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)C(O)C4O)C5(C)CO)C3(C)C2=O)O1

Aglycone:
CCC(=O)C1CC(C)C2(CC3(C)CCC4=C(CCC5C4(C)CCC(O)C5(C)CO)C3(C)C2=O)O1

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

Other Identifiers

Properties
HBA: 31 RingCount: 11
HBD: 16 FractionCSP3: 0.94
AlogP: -5.34 Num_rotatable_bonds: 17
MolWt: 1339.44 Num_heavy_atoms: 93
TPSA: 477.81 NumAromaticRings: 0

Unique Aglycone
AD53380
Formula: C29H44O5

Smiles:
CCC(=O)C1CC(C)C2(CC3(C)CCC4=C(CCC5C4(C)CCC(O)C5(C)CO)C3(C)C2=O)O1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 4.77 Num_rotatable_bonds: 3
MolWt: 472.67 Num_heavy_atoms: 34
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD01641

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