Glycoside
...
GD150194

Name:
3a,3b-dihydroxy-7-[(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]-9a,11a-dimethyl-1-{1-[(2-methylbutanoyl)oxy]ethyl}-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoate

Formula:
C52H80O21

Smiles:
CCC(C)C(=O)OC(C)C1CCC2(O)C3(O)CCC4CC(OC5OC(C)C(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(OC)C5O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Aglycone:
CCC(C)C(=O)OC(C)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 10 FractionCSP3: 0.85
AlogP: 0.2 Num_rotatable_bonds: 15
MolWt: 1041.19 Num_heavy_atoms: 73
TPSA: 319.51 NumAromaticRings: 1

Unique Aglycone
AD60011
Formula: C33H48O7

Smiles:
CCC(C)C(=O)OC(C)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.76
AlogP: 5.05 Num_rotatable_bonds: 6
MolWt: 556.74 Num_heavy_atoms: 40
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD00606

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O