Glycoside
GD125348
Name:
5,6,8-Trihydroxy-2-Methyl-4H-Naphtho[2,3-B]Pyran-4-One; 8-Me Ether, 6-O-[β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranosyl-(1->3)-β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranoside]Formula:
C39H52O25Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)c2c(O)c3c(=O)cc(C)oc3cc2c1Aglycone:
COc1cc(O)c2c(O)c3c(=O)cc(C)oc3cc2c1Sugarmoiety:
OCC1OC(OCC2OC(OC3C(O)C(CO)OC(OCC4OC(O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.67 |
| AlogP: | -6.38 | Num_rotatable_bonds: | 13 |
| MolWt: | 920.82 | Num_heavy_atoms: | 64 |
| TPSA: | 396.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD00781
Formula: C15H12O5
Smiles:
COc1cc(O)c2c(O)c3c(=O)cc(C)oc3cc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
