Glycoside
GD125871
Name:
2-{[5-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-4,10-dihydroxy-9-methoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-5-yl)-4,10-dihydroxy-9-methoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-3,4-diolFormula:
C44H54O20Smiles:
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)C4O)c3c(c(O)c12)COC(C)C3OAglycone:
COc1cc(O)cc2c(-c3c4c(c(O)c5c(OC)cc(O)cc35)COC(C)C4O)c3c(c(O)c12)COC(C)C3OSugarmoiety:
COC1C(CO)OC(O)C(O)C1O.COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 902.9 | Num_heavy_atoms: | 64 |
| TPSA: | 294.6 | NumAromaticRings: | 4 |
Unique Aglycone
AD50909
Formula: C30H30O10
Smiles:
COc1cc(O)cc2c(-c3c4c(c(O)c5c(OC)cc(O)cc35)COC(C)C4O)c3c(c(O)c12)COC(C)C3O| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 550.56 | Num_heavy_atoms: | 40 |
| TPSA: | 158.3 | NumAromaticRings: | 4 |
