Glycoside
...
GD114485

Name:
1-[1-(benzoyloxy)ethyl]-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}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoate

Formula:
C62H90O21

Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)OC(=O)c5ccccc5)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(OC(=O)c1ccccc1)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)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: 21 RingCount: 10
HBD: 6 FractionCSP3: 0.77
AlogP: 4.6 Num_rotatable_bonds: 17
MolWt: 1171.38 Num_heavy_atoms: 83
TPSA: 275.51 NumAromaticRings: 2

Unique Aglycone
AD45086
Formula: C35H44O6

Smiles:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.6
AlogP: 6.2 Num_rotatable_bonds: 5
MolWt: 560.73 Num_heavy_atoms: 41
TPSA: 93.06 NumAromaticRings: 2

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