Glycoside
...
GD119513

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

Formula:
C46H70O16

Smiles:
CC(=O)OCC1OC(OC2CC3C(=CCC4C3(C)CCC3(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(OC(C)=O)CC43C)C(C)(C)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 4.44 Num_rotatable_bonds: 13
MolWt: 879.05 Num_heavy_atoms: 62
TPSA: 227.72 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD47896
Formula: C32H52O7

Smiles:
CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.88
AlogP: 4.34 Num_rotatable_bonds: 6
MolWt: 548.76 Num_heavy_atoms: 39
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O