Glycoside
GD142254
Name:
3-(hydroxymethyl)-1,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9,10-dihydroanthracene-9,10-dioneFormula:
C27H30O15Smiles:
O=C1c2cccc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)c2c(OC3OC(CO)C(O)C(O)C3O)cc(CO)cc21Aglycone:
O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 253.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD05397
Formula: C15H10O5
Smiles:
O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
