Glycoside
...
GD140091

Name:
1-[1-(benzoyloxy)ethyl]-7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoate

Formula:
C56H80O16

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(O)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(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 3 FractionCSP3: 0.75
AlogP: 6.78 Num_rotatable_bonds: 14
MolWt: 1009.24 Num_heavy_atoms: 72
TPSA: 196.36 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
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1