Glycoside
...
GD117591

Name:
10-(acetyloxy)-3a-hydroxy-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]phenanthren-11-yl acetate

Formula:
C59H96O25

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(OC(C)=O)C(OC(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)OC1C2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)O)C2(C)C1OC(C)=O

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: 25 RingCount: 9
HBD: 7 FractionCSP3: 0.93
AlogP: 1.44 Num_rotatable_bonds: 18
MolWt: 1205.39 Num_heavy_atoms: 84
TPSA: 323.43 NumAromaticRings: 0

Unique Aglycone
AD46904
Formula: C25H38O7

Smiles:
CC(=O)OC1C2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)O)C2(C)C1OC(C)=O
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.84
AlogP: 2.51 Num_rotatable_bonds: 3
MolWt: 450.57 Num_heavy_atoms: 32
TPSA: 113.29 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