Glycoside
...
GD135336

Name:
1-(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}-3-hydroxy-6-(hydroxymethyl)-3',3a,6,9a,11a-pentamethyl-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:
C62H100O31

Smiles:
CCC(=O)C1CC(C)C2(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)O1

Aglycone:
CCC(=O)C1CC(C)C2(CC(O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1

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: 17 FractionCSP3: 0.95
AlogP: -5.54 Num_rotatable_bonds: 18
MolWt: 1341.45 Num_heavy_atoms: 93
TPSA: 480.97 NumAromaticRings: 0

Unique Aglycone
AD54728
Formula: C29H46O5

Smiles:
CCC(=O)C1CC(C)C2(CC(O)C3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(CO)C2CC4)O1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 4.57 Num_rotatable_bonds: 3
MolWt: 474.68 Num_heavy_atoms: 34
TPSA: 86.99 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