Glycoside
...
GD116572

Name:
3a-hydroxy-7-({4-hydroxy-5-[(4-methoxy-6-methyl-5-{[2,3,4,5-tetrahydroxy-6-({[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate

Formula:
C50H78O24

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(OC(C)=O)CC54O)C3)OC2C)OC(C)C1OC1(O)OC(COC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1(O)OC(COC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 11 FractionCSP3: 0.92
AlogP: -2.15 Num_rotatable_bonds: 13
MolWt: 1063.15 Num_heavy_atoms: 74
TPSA: 358.2 NumAromaticRings: 0

Unique Aglycone
AD01727
Formula: C25H36O6

Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.84
AlogP: 3.15 Num_rotatable_bonds: 2
MolWt: 432.56 Num_heavy_atoms: 31
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD04882

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1(O)OC(COC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O