Glycoside
GD109270
Name:
NoneFormula:
C29H27O14NSmiles:
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccco2)ccc1OC(C)=OAglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.NCc1ccco1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 13 |
| MolWt: | 613.53 | Num_heavy_atoms: | 44 |
| TPSA: | 203.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD12423
Formula: C5H7ON
Smiles:
NCc1ccco1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 39.16 | NumAromaticRings: | 1 |
AD44411
Formula: C10H10O4
Smiles:
COc1cc(C=O)ccc1OC(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
