Glycoside
GD122867
Name:
4,5-de-epoxynatamycinFormula:
C34H61O11NSmiles:
CC1CCCCCCCCCC(OC2OC(C)C(O)C(N)C2O)CC2CC(O)(CC(O)CCCCCC(=O)O1)CC(O)C2C(=O)OAglycone:
CC1CCCCCCCCCC(O)CC2CC(O)(CC(O)CCCCCC(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 659.86 | Num_heavy_atoms: | 46 |
| TPSA: | 209.23 | NumAromaticRings: | 0 |
Unique Aglycone
AD49552
Formula: C28H50O8
Smiles:
CC1CCCCCCCCCC(O)CC2CC(O)(CC(O)CCCCCC(=O)O1)CC(O)C2C(=O)O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 514.7 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
