Glycoside
GD125801
Name:
10-oxo-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9,10-dihydroanthracene-2-carboxylic acidFormula:
C27H30O15Smiles:
O=C(O)c1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)c1c(cccc1OC1OC(CO)C(O)C(O)C1O)C2Aglycone:
O=C(O)c1cc(O)c2c(c1)Cc1cccc(O)c1C2=OSugarmoiety:
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: | -3.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 253.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD46160
Formula: C15H10O5
Smiles:
O=C(O)c1cc(O)c2c(c1)Cc1cccc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
