Glycoside
...
GD138469

Name:
{1-[1-(acetyloxy)ethyl]-11-(benzoyloxy)-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-11a-methyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9a-yl}methyl 2-hydroxybenzoate

Formula:
C65H92O24

Smiles:
COC1CC(OC2CCC3(COC(=O)c4ccccc4O)C(=CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(O)(C(C)OC(C)=O)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(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(COC(=O)c4ccccc4O)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: 24 RingCount: 10
HBD: 6 FractionCSP3: 0.74
AlogP: 4.71 Num_rotatable_bonds: 19
MolWt: 1257.43 Num_heavy_atoms: 89
TPSA: 311.04 NumAromaticRings: 2

Unique Aglycone
AD55887
Formula: C37H44O11

Smiles:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(COC(=O)c4ccccc4O)C3CC(OC(=O)c3ccccc3)C12C
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.54
AlogP: 3.6 Num_rotatable_bonds: 7
MolWt: 664.75 Num_heavy_atoms: 48
TPSA: 180.05 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