Glycoside
GD157173
Name:
2-{[5-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-10-hydroxy-9-methoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-5-yl)-10-hydroxy-9-methoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-3,4-diolFormula:
C44H54O18Smiles:
COc1cc(OC2OC(CO)C(OC)C(O)C2O)cc2c(-c3c4c(c(O)c5c(OC)cc(OC6OC(CO)C(OC)C(O)C6O)cc35)COC(C)C4)c3c(c(O)c12)COC(C)C3Aglycone:
COc1cc(O)cc2c(-c3c4c(c(O)c5c(OC)cc(O)cc35)COC(C)C4)c3c(c(O)c12)COC(C)C3Sugarmoiety:
COC1C(CO)OC(O)C(O)C1O.COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 870.9 | Num_heavy_atoms: | 62 |
| TPSA: | 254.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD62167
Formula: C30H30O8
Smiles:
COc1cc(O)cc2c(-c3c4c(c(O)c5c(OC)cc(O)cc35)COC(C)C4)c3c(c(O)c12)COC(C)C3| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 518.56 | Num_heavy_atoms: | 38 |
| TPSA: | 117.84 | NumAromaticRings: | 4 |
