Glycoside
GD038843
Name:
spiro[naphthalene-2(3h),3'(10'h)-pentaleno[1,2-b]naphthalene]-3,10'-dione, 2'-[(2-amino-2-deoxy-b-d-gulopyranosyl)oxy]-1,1',2',3'a,4,10'a-hexahydro-,(2'r,3'as,10'ar)-(9ci)Formula:
C31H31O7NSmiles:
N[C@@H]1[C@@H](O[C@@H]2C[C@H]3C(=O)c4cc5ccccc5cc4[C@H]3[C@]23C(=O)CCc2ccccc23)O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
O=C1c2cc3ccccc3cc2C2C1CC(O)C21C(=O)CCc2ccccc21Sugarmoiety:
NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 529.59 | Num_heavy_atoms: | 39 |
| TPSA: | 139.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD16649
Formula: C25H20O3
Smiles:
O=C1c2cc3ccccc3cc2C2C1CC(O)C21C(=O)CCc2ccccc21| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 368.43 | Num_heavy_atoms: | 28 |
| TPSA: | 54.37 | NumAromaticRings: | 3 |
