Glycoside
...
GD037365

Name:
7-{[4-(acetyloxy)-5-{[4-(acetyloxy)-5-{[4,5-bis(acetyloxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl acetate

Formula:
C51H74O19

Smiles:
CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@H]3C[C@H](O[C@H]4C[C@@H](OC(C)=O)[C@@H](O[C@H]5C[C@@H](OC(C)=O)[C@@H](O[C@H]6C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O6)[C@H](C)O5)[C@H](C)O4)CC[C@@]32C)[C@]2(O)CC[C@@H](C3=CC(=O)OC3)[C@@]12C

Aglycone:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(C3=CC(=O)OC3)C12C

Sugarmoiety:
CC(=O)OC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC(C)=O)CC2OC(C)=O)OC(C)C1OC(C)=O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 1 FractionCSP3: 0.84
AlogP: 5.07 Num_rotatable_bonds: 12
MolWt: 991.13 Num_heavy_atoms: 70
TPSA: 233.41 NumAromaticRings: 0

Unique Aglycone
AD14267
Formula: C25H36O6

Smiles:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(C3=CC(=O)OC3)C12C
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
SD00808

CC(=O)OC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC(C)=O)CC2OC(C)=O)OC(C)C1OC(C)=O