Glycoside
...
GD013858

Name:
6-hydroxy-6-(2-hydroxy-3a,6,9b,11a-tetramethyl-8,10-dioxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methyl-5-oxoheptan-2-yl acetate

Formula:
C37H54O13

Smiles:
CC(=O)OC(C)(C)CCC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4C(C)=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C[C@H]4[C@@]3(C)C(=O)C[C@]12C

Aglycone:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C)=C(O)C(=O)CC4C3(C)C(=O)CC12C

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 6 FractionCSP3: 0.78
AlogP: 1.43 Num_rotatable_bonds: 9
MolWt: 706.83 Num_heavy_atoms: 50
TPSA: 217.35 NumAromaticRings: 0

Unique Aglycone
AD10278
Formula: C31H44O8

Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C)=C(O)C(=O)CC4C3(C)C(=O)CC12C
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.74
AlogP: 4.17 Num_rotatable_bonds: 6
MolWt: 544.69 Num_heavy_atoms: 39
TPSA: 138.2 NumAromaticRings: 0

Sugarmoiety
SD00003

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