Glycoside
GD136335
Name:
Megalomicin C1Formula:
C48H84O17N2Smiles:
CCC1OC(=O)C(C)C(OC2CC(C)(OC(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)OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 961.2 | Num_heavy_atoms: | 67 |
| TPSA: | 238.75 | 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 |
