Glycoside
...
GD121999

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

Formula:
C48H76O20

Smiles:
CCC(=O)C1OC2(CCC3(C)C4=C(CCC32C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C(O)C3O)C(C)(CO)C2CC4)C(C)C1OC(C)=O

Aglycone:
CCC(=O)C1OC2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)C(C)C1OC(C)=O

Sugarmoiety:
OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.92
AlogP: -0.75 Num_rotatable_bonds: 12
MolWt: 973.12 Num_heavy_atoms: 68
TPSA: 310.28 NumAromaticRings: 0

Unique Aglycone
AD49135
Formula: C31H48O6

Smiles:
CCC(=O)C1OC2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)C(C)C1OC(C)=O
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 5.14 Num_rotatable_bonds: 4
MolWt: 516.72 Num_heavy_atoms: 37
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD05908

OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O