Glycoside
GD123238
Name:
1-Hydroxyauramycin AFormula:
C41H51O16NSmiles:
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(C)O)C(=O)c1c(O)ccc(O)c1C3=OAglycone:
CC1OC(O)CCC1=O.COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(C)O)C(=O)c1c(O)ccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 813.85 | Num_heavy_atoms: | 58 |
| TPSA: | 237.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00014
Formula: C6H10O3
Smiles:
CC1OC(O)CCC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD49715
Formula: C29H33O11N
Smiles:
COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(C)O)C(=O)c1c(O)ccc(O)c1C3=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 571.58 | Num_heavy_atoms: | 41 |
| TPSA: | 183.29 | NumAromaticRings: | 2 |
