Glycoside
GD130718
Name:
8-Demethyl-8-D-Glucosyltetracenomycin CFormula:
C28H28O16Smiles:
COC(=O)c1c(OC2OC(CO)C(O)C(O)C2O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=OAglycone:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 620.52 | Num_heavy_atoms: | 44 |
| TPSA: | 267.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD49798
Formula: C22H18O11
Smiles:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.38 | Num_heavy_atoms: | 33 |
| TPSA: | 187.89 | NumAromaticRings: | 2 |
