Glycoside
GD147792
Name:
1,8-dihydroxy-3-(hydroxymethyl)-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)-9,10-dihydroanthracen-9-oneFormula:
C21H22O8Smiles:
CC1OC(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)C(O)C(O)C1OAglycone:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 402.4 | Num_heavy_atoms: | 29 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD00446
Formula: C15H12O4
Smiles:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
