Glycoside
GD118765
Name:
4-{13-hydroxy-14-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadec-5-en-6-yl}-2,5-dihydrofuran-2-oneFormula:
C30H42O8Smiles:
COC1CC(OC2CC3CCC45OC46CC=C(C4=CC(=O)OC4)C6(C)CCC5C3(C)CC2O)OC(C)C1OAglycone:
CC12CC(O)C(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.66 | Num_heavy_atoms: | 38 |
| TPSA: | 106.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD47517
Formula: C23H30O5
Smiles:
CC12CC(O)C(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.49 | Num_heavy_atoms: | 28 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
