Glycoside
GD145314
Name:
AuroramycinFormula:
C46H71O8N3Smiles:
CC1=CC=CC(C)=CCC(C)N=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(OC2OCC(OC3CC(C)(O)C(N(C)C)C(C)O3)C(O)C2N)C=CC=C1Aglycone:
CC1=CC=CC(C)=CCC(C)N=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=C1.CC1OC(O)CC(C)(O)C1N(C)CSugarmoiety:
NC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 6.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 794.09 | Num_heavy_atoms: | 57 |
| TPSA: | 159.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD46256
Formula: C32H45O3N
Smiles:
CC1=CC=CC(C)=CCC(C)N=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 7.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 491.72 | Num_heavy_atoms: | 36 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
AD52629
Formula: C9H19O3N
Smiles:
CC1OC(O)CC(C)(O)C1N(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 189.25 | Num_heavy_atoms: | 13 |
| TPSA: | 52.93 | NumAromaticRings: | 0 |
