Glycoside
GD152078
Name:
{6-[(6-{1,5',11a,13a-tetramethyl-octadecahydro-1H-spiro[chryseno[2,1-b]furan-2,2'-oxane]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl}methyl acetateFormula:
C54H88O24Smiles:
CC(=O)OCC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5C4CCC4(C)C5CCC5OC6(CCC(C)CO6)C(C)C54)C3)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1CCC2(OC1)OC1CCC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.COC(C)=OSugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 13 |
| MolWt: | 1121.27 | Num_heavy_atoms: | 78 |
| TPSA: | 361.36 | 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 |
AD50934
Formula: C28H46O3
Smiles:
CC1CCC2(OC1)OC1CCC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 6.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
