Glycoside
GD124509
Name:
5-{7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a-hydroxy-9a-(hydroxymethyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,3-dihydrofuran-3-oneFormula:
C35H54O14Smiles:
CC1OC(OC2CCC3(CO)C(CCC4C3CCC3(C)C(C5=CC(=O)CO5)CCC43O)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)CO1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 698.8 | Num_heavy_atoms: | 49 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD50301
Formula: C23H34O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)CO1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
