Glycoside
...
GD001759

Name:
3a-hydroxy-7-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate

Formula:
C38H58O15

Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](OC(C)=O)C[C@@]43O)C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 6 FractionCSP3: 0.89
AlogP: 0.48 Num_rotatable_bonds: 8
MolWt: 754.87 Num_heavy_atoms: 53
TPSA: 220.13 NumAromaticRings: 0

Unique Aglycone
AD01727
Formula: C25H36O6

Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.84
AlogP: 3.15 Num_rotatable_bonds: 2
MolWt: 432.56 Num_heavy_atoms: 31
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00435

COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O