Glycoside
GD117030
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-({2,5,9-trimethyltricyclo[6.3.0.0¹,âµ]undec-3-en-3-yl}methoxy)oxan-3-yl 2-methylbut-2-enoateFormula:
C26H40O7Smiles:
CC=C(C)C(=O)OC1C(OCC2=CC3(C)CCC4C(C)CCC43C2C)OC(CO)C(O)C1OAglycone:
CC1CCC23C(C)C(CO)=CC2(C)CCC13.CC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.6 | Num_heavy_atoms: | 33 |
| TPSA: | 105.45 | 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 |
AD46589
Formula: C15H24O
Smiles:
CC1CCC23C(C)C(CO)=CC2(C)CCC13| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.36 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
