Glycoside
GD151902
Name:
Megalomicin BFormula:
C46H82O16N2Smiles:
CCC1OC(=O)C(C)C(OC2CC(C)(O)C(OC(C)=O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC2CC(N(C)C)C(O)C(C)O2)CC(C)C(=O)C(C)C(O)C1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC2CC(N(C)C)C(O)C(C)O2)CC(C)C(=O)C(C)C(O)C1(C)OSugarmoiety:
CC(=O)OC1C(C)OC(O)CC1(C)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 919.16 | Num_heavy_atoms: | 64 |
| TPSA: | 232.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD03764
Formula: C37H68O12N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC2CC(N(C)C)C(O)C(C)O2)CC(C)C(=O)C(C)C(O)C1(C)O| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 732.95 | Num_heavy_atoms: | 51 |
| TPSA: | 187.92 | NumAromaticRings: | 0 |
