Glycoside
GD111038
Name:
NoneFormula:
C31H29O14NSmiles:
COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)c1Aglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.COc1cccc(N)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 13 |
| MolWt: | 639.57 | Num_heavy_atoms: | 46 |
| TPSA: | 199.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD20206
Formula: C7H9ON
Smiles:
COc1cccc(N)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.15 | Num_heavy_atoms: | 9 |
| TPSA: | 35.25 | 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 |
