Glycoside
...
GD123080

Name:
7-[(5-{[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}-4-methoxy-6-methyloxan-2-yl)oxy]-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-3a,3b,10,11-tetrol

Formula:
C55H92O24

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3C(O)C(O)C3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 10 FractionCSP3: 0.96
AlogP: -0.59 Num_rotatable_bonds: 16
MolWt: 1137.32 Num_heavy_atoms: 79
TPSA: 331.52 NumAromaticRings: 0

Unique Aglycone
AD49645
Formula: C21H34O6

Smiles:
CC(O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.9
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 382.5 Num_heavy_atoms: 27
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD00904

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1