Glycoside
GD040067
Name:
(1r,3a's,10's,10a'r)-7-methoxy-2-oxo-10',10a'-dihydro-2h,3a'h-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-d-galactopyranosideFormula:
C33H33O6NSmiles:
CN[C@H]1[C@@H](O[C@@H]2c3cc4ccccc4cc3[C@@H]3[C@H]2C=C[C@@]32C(=O)C=Cc3ccc(OC)cc32)O[C@H](C)[C@@H](O)[C@H]1OAglycone:
COc1ccc2c(c1)C1(C=CC3C(O)c4cc5ccccc5cc4C31)C(=O)C=C2Sugarmoiety:
CNC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 539.63 | Num_heavy_atoms: | 40 |
| TPSA: | 97.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD05755
Formula: C26H20O3
Smiles:
COc1ccc2c(c1)C1(C=CC3C(O)c4cc5ccccc5cc4C31)C(=O)C=C2| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 380.44 | Num_heavy_atoms: | 29 |
| TPSA: | 46.53 | NumAromaticRings: | 3 |
