Glycoside
GD008197
Name:
NoneFormula:
C54H60O20N2Smiles:
COc1ccc(C(=O)Nc2cc3cc(OC)c(O[C@@H]4OC(C)(C)[C@H](OC)[C@H](O)[C@H]4O)c(C)c3oc2=O)cc1-c1cc(C(=O)Nc2cc3cc(OC)c(O[C@@H]4OC(C)(C)[C@H](OC)[C@H](O)[C@H]4O)c(C)c3oc2=O)ccc1OCAglycone:
COc1ccc(C(=O)Nc2cc3cc(OC)c(O)c(C)c3oc2=O)cc1-c1cc(C(=O)Nc2cc3cc(OC)c(O)c(C)c3oc2=O)ccc1OCSugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 15 |
| MolWt: | 1057.07 | Num_heavy_atoms: | 76 |
| TPSA: | 291.84 | NumAromaticRings: | 6 |
Unique Aglycone
AD06577
Formula: C38H32O12N2
Smiles:
COc1ccc(C(=O)Nc2cc3cc(OC)c(O)c(C)c3oc2=O)cc1-c1cc(C(=O)Nc2cc3cc(OC)c(O)c(C)c3oc2=O)ccc1OC| HBA: | 14 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 708.68 | Num_heavy_atoms: | 52 |
| TPSA: | 196.0 | NumAromaticRings: | 6 |
