Glycoside
...
GD136204

Name:
1-(6-hydroperoxy-2-hydroxy-6-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-4-en-2-yl)-7-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

Formula:
C52H86O23

Smiles:
CC1OC(OC2C(OC3CCC4(C=O)C(CCC5(C)C4CCC4C(C(O)(CC=CC(C)(C)OO)COC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(C=CCC(O)(CO)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12C)OO

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 13 FractionCSP3: 0.94
AlogP: -1.25 Num_rotatable_bonds: 16
MolWt: 1079.24 Num_heavy_atoms: 75
TPSA: 363.13 NumAromaticRings: 0

Unique Aglycone
AD55052
Formula: C30H50O6

Smiles:
CC(C)(C=CCC(O)(CO)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12C)OO
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.9
AlogP: 5.15 Num_rotatable_bonds: 7
MolWt: 506.72 Num_heavy_atoms: 36
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD03104

CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O