Glycoside
...
GD149267

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

Formula:
C54H84O24

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(O)(C(C)OC(=O)c5ccccc5)CCC43O)C2)OC(C)C1OC1OC(C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)C1O

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

Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 12 FractionCSP3: 0.87
AlogP: -1.74 Num_rotatable_bonds: 15
MolWt: 1117.24 Num_heavy_atoms: 78
TPSA: 361.36 NumAromaticRings: 1

Unique Aglycone
AD59698
Formula: C28H40O7

Smiles:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(O)C12C
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.75
AlogP: 2.57 Num_rotatable_bonds: 3
MolWt: 488.62 Num_heavy_atoms: 35
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD02651

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)C1O