Glycoside
...
GD134356

Name:
1-[1-(5,5-dimethyl-3-oxooxolan-2-yl)ethyl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione

Formula:
C36H52O11

Smiles:
CC(C1OC(C)(C)CC1=O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C

Aglycone:
CC(C1OC(C)(C)CC1=O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C

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

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.81
AlogP: 2.0 Num_rotatable_bonds: 5
MolWt: 660.8 Num_heavy_atoms: 47
TPSA: 180.05 NumAromaticRings: 0

Unique Aglycone
AD54360
Formula: C30H42O6

Smiles:
CC(C1OC(C)(C)CC1=O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.77
AlogP: 4.74 Num_rotatable_bonds: 2
MolWt: 498.66 Num_heavy_atoms: 36
TPSA: 100.9 NumAromaticRings: 0

Sugarmoiety
SD00003

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