Glycoside
GD124744
Name:
3-[3a-hydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C29H44O9Smiles:
CC1OC(OC2CCC3(CO)C(CCC4C3CCC3(C)C(C5=CCOC5=O)CCC43O)C2)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CCOC1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 536.66 | Num_heavy_atoms: | 38 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD47692
Formula: C23H34O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CCOC1=O| 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 |
