Glycoside
GD137731
Name:
NoneFormula:
C28H28O12N2Smiles:
COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccc(OCCc4ccc(N)[nH]4)cc3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(OCCc4ccc(N)[nH]4)cc3)cc(=O)c2c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.53 | Num_heavy_atoms: | 42 |
| TPSA: | 227.16 | NumAromaticRings: | 4 |
Unique Aglycone
AD49150
Formula: C22H20O6N2
Smiles:
COc1c(O)cc2oc(-c3ccc(OCCc4ccc(N)[nH]4)cc3)cc(=O)c2c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.41 | Num_heavy_atoms: | 30 |
| TPSA: | 130.94 | NumAromaticRings: | 4 |
