Glycoside
...
GD138981

Name:
1-[7-({6-[({3-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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-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:
C57H92O27

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(CO)C(O)C5O)C(O)C(O)C3O)C(C)(CO)C2CC4)O1

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

Sugarmoiety:
OCC1OC(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)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 15 FractionCSP3: 0.95
AlogP: -4.01 Num_rotatable_bonds: 17
MolWt: 1209.34 Num_heavy_atoms: 84
TPSA: 422.05 NumAromaticRings: 0

Unique Aglycone
AD10612
Formula: C29H46O4

Smiles:
CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)O1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 5.6 Num_rotatable_bonds: 3
MolWt: 458.68 Num_heavy_atoms: 33
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD08380

OCC1OC(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)C1O