Glycoside
GD118338
Name:
4,7,9-trihydroxy-1,3-dimethyl-6-(4,7,10-trihydroxy-1,3-dimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-5-yl)-1H,3H,4H,5H,10H-naphtho[2,3-c]pyran-5,10-dioneFormula:
C36H38O16Smiles:
CC1OC(C)C(O)C2=C1C(=O)c1c(O)cc(O)c(-c3c4c(c(O)c5c(OC6OC(CO)C(O)C(O)C6O)cc(O)cc35)C(C)OC(C)C4O)c1C2=OAglycone:
CC1OC(C)C(O)C2=C1C(=O)c1c(O)cc(O)c(-c3c4c(c(O)c5c(O)cc(O)cc35)C(C)OC(C)C4O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 726.68 | Num_heavy_atoms: | 52 |
| TPSA: | 273.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD47303
Formula: C30H28O11
Smiles:
CC1OC(C)C(O)C2=C1C(=O)c1c(O)cc(O)c(-c3c4c(c(O)c5c(O)cc(O)cc35)C(C)OC(C)C4O)c1C2=O| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 564.54 | Num_heavy_atoms: | 41 |
| TPSA: | 194.21 | NumAromaticRings: | 3 |
