Glycoside
GD127892
Name:
3-hydroxy-3-{21-hydroxy-5-methyl-8-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-17,20-dioxaheptacyclo[12.10.0.0¹,²³.0â´,¹³.0âµ,¹â°.0¹â¶,²³.0¹â¸,²²]tetracosa-4(13),14-dien-19-yl}-4-methylpentan-2-oneFormula:
C35H50O11Smiles:
CC(=O)C(O)(C(C)C)C1OC(O)C2C1OC1C=C3C4=C(CCC35CC125)C1(C)CCC(C2(O)OC(CO)C(O)C(O)C2O)CC1CC4Aglycone:
CC(=O)C(O)(C(C)C)C1OC(O)C2C1OC1C=C3C4=C(CCC35CC125)C1(C)CCCCC1CC4Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 646.77 | Num_heavy_atoms: | 46 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51801
Formula: C29H40O5
Smiles:
CC(=O)C(O)(C(C)C)C1OC(O)C2C1OC1C=C3C4=C(CCC35CC125)C1(C)CCCCC1CC4| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.63 | Num_heavy_atoms: | 34 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
