Glycoside
...
GD114254

Name:
2-[(4,5-dihydroxy-2-{[1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-11-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C54H92O23

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C12C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 15 FractionCSP3: 0.96
AlogP: -2.2 Num_rotatable_bonds: 16
MolWt: 1109.31 Num_heavy_atoms: 77
TPSA: 377.29 NumAromaticRings: 0

Unique Aglycone
AD44937
Formula: C30H52O3

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 6.5 Num_rotatable_bonds: 4
MolWt: 460.74 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD02210

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O