Glycoside
GD106371
Name:
NoneFormula:
C26H32O10NSmiles:
O=C(O)[C@H]1O[C@@H](Oc2ccc3c4c2O[C@H]2C(=O)CC[C@@]5(O)[C@@H](C3)[N@@H+](CC3CC3)CC[C@]425)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CC[NH+]3CC2CC2)C1O5Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.54 | Num_heavy_atoms: | 37 |
| TPSA: | 167.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD44164
Formula: C20H24O4N
Smiles:
O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CC[NH+]3CC2CC2)C1O5| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 342.42 | Num_heavy_atoms: | 25 |
| TPSA: | 71.2 | NumAromaticRings: | 1 |
