Glycoside
GD110095
Name:
NoneFormula:
C28H25O11NSmiles:
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1Aglycone:
COC(=O)c1cccc(N)c1.COc1cccc(C=O)c1.COc1cccc(C=O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 551.5 | Num_heavy_atoms: | 40 |
| TPSA: | 163.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD44013
Formula: C8H8O2
Smiles:
COc1cccc(C=O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44024
Formula: C8H9O2N
Smiles:
COC(=O)c1cccc(N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
