Glycoside
...
GD115093

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

Formula:
C48H72O20

Smiles:
COC1C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)COC(OC2CCC3(C)C(CCC4C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)OC(C)=O)CCC43O)C2)C1O

Aglycone:
CC(=O)OC(C)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:
COC1C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)COC(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 9 FractionCSP3: 0.83
AlogP: -0.33 Num_rotatable_bonds: 13
MolWt: 969.08 Num_heavy_atoms: 68
TPSA: 299.28 NumAromaticRings: 1

Unique Aglycone
AD45469
Formula: C30H42O6

Smiles:
CC(=O)OC(C)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.73
AlogP: 4.91 Num_rotatable_bonds: 4
MolWt: 498.66 Num_heavy_atoms: 36
TPSA: 93.06 NumAromaticRings: 1

Sugarmoiety
SD04540

COC1C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)COC(O)C1O