Glycoside
GD135367
Name:
5-(acetyloxy)-6-{[18-hydroxy-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0âµ,¹â°.0¹â´,¹â¸]octadecan-7-yl]oxy}-4-methoxy-2-methyloxan-3-yl acetateFormula:
C34H48O11Smiles:
COC1C(OC(C)=O)C(C)OC(OC2CCC3(C)C(C2)CC2OC24C3CCC2(C)C(C3=CC(=O)OC3)CCC24O)C1OC(C)=OAglycone:
CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13OSugarmoiety:
COC1C(OC(C)=O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 632.75 | Num_heavy_atoms: | 45 |
| TPSA: | 139.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD44600
Formula: C23H32O5
Smiles:
CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
