Glycoside
...
GD120484

Name:
3a-hydroxy-7-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl acetate

Formula:
C50H82O20

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(OC(C)=O)C3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 7 FractionCSP3: 0.94
AlogP: 1.36 Num_rotatable_bonds: 14
MolWt: 1003.19 Num_heavy_atoms: 70
TPSA: 269.44 NumAromaticRings: 0

Unique Aglycone
AD48409
Formula: C23H36O5

Smiles:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)O)C12C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.87
AlogP: 2.96 Num_rotatable_bonds: 2
MolWt: 392.54 Num_heavy_atoms: 28
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD02085

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1