Glycoside
GD127624
Name:
Arenicolide CFormula:
C45H72O12Smiles:
CCCC1OC(C)(C(O)CC=CC2OC(=O)C=CC=CC(OC)C(O)C=CC(C)=CC(C)CCCC(OC)C(O)C=CC(C)=CC(C)C(O)C2OC)C(O)C1OCAglycone:
COC1C=CC=CC(=O)OC(C=CCCO)C(OC)C(O)C(C)C=C(C)C=CC(O)C(OC)CCCC(C)C=C(C)C=CC1OSugarmoiety:
CCCC1OC(C)(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 805.06 | Num_heavy_atoms: | 57 |
| TPSA: | 173.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51683
Formula: C36H56O9
Smiles:
COC1C=CC=CC(=O)OC(C=CCCO)C(OC)C(O)C(C)C=C(C)C=CC(O)C(OC)CCCC(C)C=C(C)C=CC1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
