Glycoside
...
GD138167

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

Formula:
C53H90O24

Smiles:
CC(C)(O)C=CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C

Aglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 16 FractionCSP3: 0.96
AlogP: -3.62 Num_rotatable_bonds: 15
MolWt: 1111.28 Num_heavy_atoms: 77
TPSA: 397.52 NumAromaticRings: 0

Unique Aglycone
AD20928
Formula: C30H52O5

Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 4.44 Num_rotatable_bonds: 4
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD08277

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O