Glycoside
...
GD131157

Name:
1-[11-(acetyloxy)-1,3a-dihydroxy-7-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl 3-methylbutanoate

Formula:
C54H90O23

Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CC(OC(C)=O)C3(C)C(O)(C(C)OC(=O)CC(C)C)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1

Aglycone:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)CC(C)C)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 9 FractionCSP3: 0.96
AlogP: 0.47 Num_rotatable_bonds: 17
MolWt: 1107.29 Num_heavy_atoms: 77
TPSA: 326.97 NumAromaticRings: 0

Unique Aglycone
AD53148
Formula: C28H46O7

Smiles:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)CC(C)C)C12C
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 3.76 Num_rotatable_bonds: 5
MolWt: 494.67 Num_heavy_atoms: 35
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD05396

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1