Glycoside
GD144283
Name:
1-hydroxy-3-(hydroxymethyl)-8,10-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9,10-dihydroanthracen-9-oneFormula:
C27H32O15Smiles:
O=C1c2c(O)cc(CO)cc2C(OC2OC(CO)C(O)C(O)C2O)c2cccc(OC3OC(CO)C(O)C(O)C3O)c21Aglycone:
O=C1c2c(O)cccc2C(O)c2cc(CO)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 256.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00126
Formula: C15H12O5
Smiles:
O=C1c2c(O)cccc2C(O)c2cc(CO)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
