Glycoside
GD118442
Name:
7,9-dihydroxy-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:
C36H38O15Smiles:
CC1CC2=C(C(=O)c3c(O)cc(O)c(-c4c5c(c(O)c6c(OC7OC(CO)C(O)C(O)C7O)cc(O)cc46)C(C)OC(C)C5O)c3C2=O)C(C)O1Aglycone:
CC1CC2=C(C(=O)c3c(O)cc(O)c(-c4c5c(c(O)c6c(O)cc(O)cc46)C(C)OC(C)C5O)c3C2=O)C(C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 710.69 | Num_heavy_atoms: | 51 |
| TPSA: | 253.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD47357
Formula: C30H28O10
Smiles:
CC1CC2=C(C(=O)c3c(O)cc(O)c(-c4c5c(c(O)c6c(O)cc(O)cc46)C(C)OC(C)C5O)c3C2=O)C(C)O1| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 548.54 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 3 |
