Glycoside
GD118208
Name:
Marinoid BFormula:
C26H32O12Smiles:
COc1ccc(C=CC(=O)OC2C(OC3OC=C(C(=O)O)C4CCC(C)(O)C34)OC(CO)C(O)C2O)cc1Aglycone:
CC1(O)CCC2C(C(=O)O)=COC(O)C21.COc1ccc(C=CC(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD02513
Formula: C10H10O3
Smiles:
COc1ccc(C=CC(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD10227
Formula: C10H14O5
Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
