Glycoside
GD009570
Name:
4-{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:
C30H42O7Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]45O[C@]46CC=C(C4=CC(=O)OC4)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@H]1OAglycone:
CC12CCC(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.66 | Num_heavy_atoms: | 37 |
| TPSA: | 86.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD07493
Formula: C23H30O4
Smiles:
CC12CCC(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.49 | Num_heavy_atoms: | 27 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
