Glycoside
GD137707
Name:
Trilobatin EFormula:
C43H36O21Smiles:
O=C(O)CC1OCC(O)C(O)C1OC(=O)C1=Cc2c(cc(O)c(O)c2-c2c(O)c(O)cc3c2C=C(C(=O)O)C(C(=O)O)C3c2ccc(O)c(O)c2)C(c2ccc(O)c(O)c2)C1C(=O)OAglycone:
O=C(O)C1=Cc2c(cc(O)c(O)c2-c2c(O)c(O)cc3c2C=C(C(=O)O)C(C(=O)O)C3c2ccc(O)c(O)c2)C(c2ccc(O)c(O)c2)C1C(=O)OSugarmoiety:
O=C(O)CC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.23 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 888.74 | Num_heavy_atoms: | 64 |
| TPSA: | 387.03 | NumAromaticRings: | 4 |
Unique Aglycone
AD55625
Formula: C36H26O16
Smiles:
O=C(O)C1=Cc2c(cc(O)c(O)c2-c2c(O)c(O)cc3c2C=C(C(=O)O)C(C(=O)O)C3c2ccc(O)c(O)c2)C(c2ccc(O)c(O)c2)C1C(=O)O| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.11 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 714.59 | Num_heavy_atoms: | 52 |
| TPSA: | 311.04 | NumAromaticRings: | 4 |
