Glycoside
...
GD151183

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

Formula:
C63H92O21

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(O)(C(C)OC(=O)c5ccccc5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

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

Other Identifiers

Properties
HBA: 21 RingCount: 10
HBD: 5 FractionCSP3: 0.78
AlogP: 5.54 Num_rotatable_bonds: 17
MolWt: 1185.41 Num_heavy_atoms: 84
TPSA: 264.51 NumAromaticRings: 2

Unique Aglycone
AD48417
Formula: C35H44O8

Smiles:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 8 RingCount: 6
HBD: 4 FractionCSP3: 0.6
AlogP: 4.43 Num_rotatable_bonds: 5
MolWt: 592.73 Num_heavy_atoms: 43
TPSA: 133.52 NumAromaticRings: 2

Sugarmoiety
SD00850

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