Glycoside
...
GD120877

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

Formula:
C40H60O11

Smiles:
CC(=O)OC1CC(C)OC(OC2CC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC3(C)C2C(C)(O)C(=O)C=CC(C)(C)O)C1OC(C)=O

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

Sugarmoiety:
CC(=O)OC1CC(C)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 3 FractionCSP3: 0.8
AlogP: 4.77 Num_rotatable_bonds: 8
MolWt: 716.91 Num_heavy_atoms: 51
TPSA: 165.89 NumAromaticRings: 0

Unique Aglycone
AD48601
Formula: C30H46O6

Smiles:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.8
AlogP: 3.75 Num_rotatable_bonds: 4
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD05694

CC(=O)OC1CC(C)OC(O)C1OC(C)=O