Glycoside
GD132000
Name:
Trioxacarcin CFormula:
C42H54O20Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(OC1CC(O)C(O)(C(C)O)C(C)O1)(O4)C31CO1)C(=O)C(O)CC2OC1COC(C)(OC(C)=O)C(C)(O)C1Aglycone:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C31CO1)C(=O)C(O)CC2OSugarmoiety:
CC(=O)OC1(C)OCC(O)CC1(C)O.CC(O)C1(O)C(O)CC(O)OC1COther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 878.87 | Num_heavy_atoms: | 62 |
| TPSA: | 269.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD06962
Formula: C25H26O12
Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C31CO1)C(=O)C(O)CC2O| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 165.9 | NumAromaticRings: | 2 |
