Glycoside

GD140058
Name:
(6-{[11-(acetyloxy)-1-hydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C40H66O12Smiles:
CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(OC(C)=O)C3C4(C)CCC3(O)C3(C)CCC(C(C)(C)O)O3)C2(C)C)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(O)(C3(C)CCC(C(C)(C)O)O3)C12.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.95 |
AlogP: | 3.79 | Num_rotatable_bonds: | 7 |
MolWt: | 738.96 | Num_heavy_atoms: | 52 |
TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 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 |
AD56471
Formula: C32H54O6
Smiles:
CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(O)(C3(C)CCC(C(C)(C)O)O3)C12HBA: | 6 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.97 |
AlogP: | 5.4 | Num_rotatable_bonds: | 3 |
MolWt: | 534.78 | Num_heavy_atoms: | 38 |
TPSA: | 96.22 | NumAromaticRings: | 0 |