Glycoside
GD139267
Name:
4-{14-[(4,5-dihydroxy-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:
C29H40O7Smiles:
CC1OC(OC2CCC3(C)C(CCC45OC46CC=C(C4=CC(=O)OC4)C6(C)CCC35)C2)CC(O)C1OAglycone:
CC12CCC(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 500.63 | Num_heavy_atoms: | 36 |
| TPSA: | 97.75 | 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 |
