Glycoside
GD131303
Name:
1,2-dihydroxy-16-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6,13-dimethyl-7-oxapentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icos-18-en-8-oneFormula:
C28H42O8Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CCC35C(=O)OC(C)C3CCC45O)C2)OC(C)C1OAglycone:
CC1OC(=O)C23CCC4C5(C)CCC(O)CC5=CCC4(O)C2(O)CCC13Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 506.64 | Num_heavy_atoms: | 36 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53201
Formula: C21H30O5
Smiles:
CC1OC(=O)C23CCC4C5(C)CCC(O)CC5=CCC4(O)C2(O)CCC13| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 362.47 | Num_heavy_atoms: | 26 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
