Glycoside
...
GD149357

Name:
7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-yl acetate

Formula:
C40H66O11

Smiles:
CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4OC(C)=O)CCC3(C)C12

Aglycone:
CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12

Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 4 FractionCSP3: 0.95
AlogP: 4.68 Num_rotatable_bonds: 7
MolWt: 722.96 Num_heavy_atoms: 51
TPSA: 161.21 NumAromaticRings: 0

Unique Aglycone
AD59734
Formula: C32H54O5

Smiles:
CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.97
AlogP: 6.28 Num_rotatable_bonds: 3
MolWt: 518.78 Num_heavy_atoms: 37
TPSA: 75.99 NumAromaticRings: 0

Sugarmoiety
SD00313

CC(=O)OC1C(O)OC(CO)C(O)C1O