Glycoside
...
GD120178

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

Formula:
C60H84O20

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)OC(=O)c5ccccc5)CCC43O)C2)OC(C)C1OC1CC(O)C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(C)O2)C(C)O1

Aglycone:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 10
HBD: 7 FractionCSP3: 0.73
AlogP: 4.24 Num_rotatable_bonds: 15
MolWt: 1125.31 Num_heavy_atoms: 80
TPSA: 277.28 NumAromaticRings: 2

Unique Aglycone
AD47847
Formula: C35H42O6

Smiles:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.54
AlogP: 6.12 Num_rotatable_bonds: 5
MolWt: 558.72 Num_heavy_atoms: 41
TPSA: 93.06 NumAromaticRings: 2

Sugarmoiety
SD05572

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(C)O2)C(C)O1