Glycoside
...
GD116319

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

Formula:
C55H94O24

Smiles:
CC(C)(C=CCC(C)(OC1OC(COC2(C)OC(CO)C(O)C2O)C(O)C(O)C1O)C1(C)CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)OO

Aglycone:
CC(C)(C=CCC(C)(O)C1(C)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)OO

Sugarmoiety:
CC1(OCC2OC(O)C(O)C(O)C2O)OC(CO)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 15 FractionCSP3: 0.96
AlogP: -1.32 Num_rotatable_bonds: 17
MolWt: 1139.33 Num_heavy_atoms: 79
TPSA: 386.52 NumAromaticRings: 0

Unique Aglycone
AD46165
Formula: C31H54O5

Smiles:
CC(C)(C=CCC(C)(O)C1(C)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)OO
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.94
AlogP: 6.36 Num_rotatable_bonds: 5
MolWt: 506.77 Num_heavy_atoms: 36
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD04838

CC1(OCC2OC(O)C(O)C(O)C2O)OC(CO)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O