Glycoside
GD141901
Name:
Ashimycin BFormula:
C23H41O14N7Smiles:
CC1OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C(OC2OC(CO)C(O)C(O)C2N(C)C(=O)CO)C1(O)C=OAglycone:
CNC(=O)CO.N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1OSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1(O)C=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.83 |
| AlogP: | -8.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 639.62 | Num_heavy_atoms: | 44 |
| TPSA: | 359.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD07399
Formula: C8H18O4N6
Smiles:
N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.75 |
| AlogP: | -4.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.27 | Num_heavy_atoms: | 18 |
| TPSA: | 204.72 | NumAromaticRings: | 0 |
AD11181
Formula: C3H7O2N
Smiles:
CNC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 89.09 | Num_heavy_atoms: | 6 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
