Glycoside
...
GD116409

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

Formula:
C54H92O25

Smiles:
CC(C)(C=CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(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)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)OO

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: 25 RingCount: 8
HBD: 16 FractionCSP3: 0.96
AlogP: -2.73 Num_rotatable_bonds: 17
MolWt: 1141.31 Num_heavy_atoms: 79
TPSA: 406.75 NumAromaticRings: 0

Unique Aglycone
AD45884
Formula: C30H52O5

Smiles:
CC(C)(C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)OO
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.97 Num_rotatable_bonds: 5
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 90.15 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