Glycoside
GD005896
Name:
NoneFormula:
C28H27O6N3Smiles:
CO[C@@H]1[C@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4)[C@H](O)[C@H]1OAglycone:
CN1Cc2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 501.54 | Num_heavy_atoms: | 37 |
| TPSA: | 120.18 | NumAromaticRings: | 5 |
Unique Aglycone
AD04940
Formula: C21H15ON3
Smiles:
CN1Cc2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 325.37 | Num_heavy_atoms: | 25 |
| TPSA: | 51.89 | NumAromaticRings: | 5 |
