Glycoside
GD120652
Name:
2-{[8-formyl-4-(3-hydroxy-3-methylpent-4-en-1-yl)-3,4a,8-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy}-3,5-dihydroxyoxan-4-yl 2-methylbut-2-enoateFormula:
C30H46O8Smiles:
C=CC(C)(O)CCC1C(C)=CC(OC2OCC(O)C(OC(=O)C(C)=CC)C2O)C2C(C)(C=O)CCCC12CAglycone:
C=CC(C)(O)CCC1C(C)=CC(O)C2C(C)(C=O)CCCC12C.CC=C(C)C(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.69 | Num_heavy_atoms: | 38 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD48496
Formula: C20H32O3
Smiles:
C=CC(C)(O)CCC1C(C)=CC(O)C2C(C)(C=O)CCCC12C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
