Glycoside
...
GD115862

Name:
2-(10-hydroperoxy-2,4b,8,8-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)-2-hydroxyethyl acetate

Formula:
C28H46O11

Smiles:
CC(=O)OCC(O)C1(C)C=C2C(OO)CC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)C2CC1

Aglycone:
CC(=O)OCC(O)C1(C)C=C2C(OO)CC3C(C)(C)C(O)CCC3(C)C2CC1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 6 FractionCSP3: 0.89
AlogP: 1.14 Num_rotatable_bonds: 7
MolWt: 558.67 Num_heavy_atoms: 39
TPSA: 175.37 NumAromaticRings: 0

Unique Aglycone
AD45912
Formula: C22H36O6

Smiles:
CC(=O)OCC(O)C1(C)C=C2C(OO)CC3C(C)(C)C(O)CCC3(C)C2CC1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.86
AlogP: 3.32 Num_rotatable_bonds: 4
MolWt: 396.52 Num_heavy_atoms: 28
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O