Glycoside
GD137092
Name:
2-{[2-hydroxy-25-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-3-yl]oxy}-6-(hydroxymethyl)-3,5-dimethoxyoxan-4-olFormula:
C48H70O8Smiles:
COC1C(CO)OC(OC(C=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CC(O)CC2(C)C)C(C)(C)O)C(OC)C1OAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)CSugarmoiety:
COC1C(O)OC(CO)C(OC)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 8.82 | Num_rotatable_bonds: | 18 |
| MolWt: | 775.08 | Num_heavy_atoms: | 56 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD49976
Formula: C40H56O3
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 9.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 584.89 | Num_heavy_atoms: | 43 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
