Glycoside
GD150853
Name:
Curamycin AFormula:
C61H84O32Cl2Smiles:
COCC1OC(OC2OCC3OC4(OC3C2OC(C)=O)OC(C)C(O)(C(C)=O)C2OCOC24)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3(C)OC4(CC(O)C(OC5CC(O)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3C(C)O2)C1OAglycone:
CC(=O)OC1C(O)OCC2OC3(OC21)OC(C)C(O)(C(C)=O)C1OCOC13.CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2.COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)OSugarmoiety:
CC1OC(O)CC(O)C1O.COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 11 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 17 |
| MolWt: | 1376.19 | Num_heavy_atoms: | 93 |
| TPSA: | 384.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD01435
Formula: C11H8O4Cl2
Smiles:
COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.06 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD23887
Formula: C13H22O7
Smiles:
CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 290.31 | Num_heavy_atoms: | 20 |
| TPSA: | 97.61 | NumAromaticRings: | 0 |
AD60217
Formula: C16H22O11
Smiles:
CC(=O)OC1C(O)OCC2OC3(OC21)OC(C)C(O)(C(C)=O)C1OCOC13| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.34 | Num_heavy_atoms: | 27 |
| TPSA: | 139.21 | NumAromaticRings: | 0 |
