Glycoside
GD137097
Name:
ethyl 3a,5a,10-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carboxylateFormula:
C31H46O12Smiles:
CCOC(=O)C12CCC(OC3OC(C)C(O)C(O)C3O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CCOC(=O)C12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 610.7 | Num_heavy_atoms: | 43 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD55401
Formula: C25H36O8
Smiles:
CCOC(=O)C12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.56 | Num_heavy_atoms: | 33 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
