Glycoside
GD136758
Name:
Trioxacarcin FFormula:
C42H56O22Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C(O)C1OC(O)(C(OC)OC)C(O)(CO)C1(OC1CC(O)C(O)(C(C)=O)C(C)O1)O4)C(=O)C(O)CC2OC1CC(C)(O)C(OC(C)=O)C(C)O1Aglycone:
COc1c2c(c(O)c3c4c(c(C)cc13)C(O)C1OC(O)(C(OC)OC)C(O)(CO)C1(O)O4)C(=O)C(O)CC2OSugarmoiety:
CC(=O)C1(O)C(O)CC(O)OC1C.CC(=O)OC1C(C)OC(O)CC1(C)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 912.89 | Num_heavy_atoms: | 64 |
| TPSA: | 325.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD47594
Formula: C25H30O14
Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C(O)C1OC(O)(C(OC)OC)C(O)(CO)C1(O)O4)C(=O)C(O)CC2O| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 554.5 | Num_heavy_atoms: | 39 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
