Glycoside
GD152767
Name:
methyl 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:
C30H44O12Smiles:
COC(=O)C12CCC(OC3OC(C)C(O)C(O)C3O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
COC(=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: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 596.67 | Num_heavy_atoms: | 42 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD60803
Formula: C24H34O8
Smiles:
COC(=O)C12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 450.53 | Num_heavy_atoms: | 32 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
