Glycoside
GD129434
Name:
Bu 3608Fa2Formula:
C39H42O19N2Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(O)C3O)C2=OSugarmoiety:
CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1NOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.44 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 842.76 | Num_heavy_atoms: | 60 |
| TPSA: | 358.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD45850
Formula: C28H23O12N
Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(O)C3O)C2=O| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 565.49 | Num_heavy_atoms: | 41 |
| TPSA: | 234.64 | NumAromaticRings: | 3 |
