Glycoside
GD138707
Name:
Sulfurmycin EFormula:
C43H55O16NSmiles:
COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(OC4CC(O)C(OC5CCC(O)C(C)O5)C(C)O4)C(C)O2)CC1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=OAglycone:
CC1OC(O)CCC1O.COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 841.9 | Num_heavy_atoms: | 60 |
| TPSA: | 237.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD46334
Formula: C31H35O11N
Smiles:
COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 597.62 | Num_heavy_atoms: | 43 |
| TPSA: | 180.13 | NumAromaticRings: | 2 |
