Glycoside
GD111853
Name:
NoneFormula:
C28H25O9NSmiles:
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1cccc(C)c1)[C@@H](OC(=O)c1cccc(C)c1)C(=O)OAglycone:
COC(=O)c1ccccc1N.Cc1cccc(C=O)c1.Cc1cccc(C=O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 519.51 | Num_heavy_atoms: | 38 |
| TPSA: | 145.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD25269
Formula: C8H9O2N
Smiles:
COC(=O)c1ccccc1N| 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 |
AD44026
Formula: C8H8O
Smiles:
Cc1cccc(C=O)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
