Glycoside
GD142454
Name:
Antibiotic Fr 900848Formula:
C32H43O6N3Smiles:
CC1CC1C=CC1CC1C1CC1C1CC1C1CC1C=CC=CC(=O)NCC1OC(N2CCC(O)=NC2=O)C(O)C1OAglycone:
CNC(=O)C=CC=CC1CC1C1CC1C1CC1C1CC1C=CC1CC1C.O=C1N=C(O)CCN1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 565.71 | Num_heavy_atoms: | 41 |
| TPSA: | 131.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD45212
Formula: C4H6O2N2
Smiles:
O=C1N=C(O)CCN1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.1 | Num_heavy_atoms: | 8 |
| TPSA: | 61.69 | NumAromaticRings: | 0 |
AD57323
Formula: C24H33ON
Smiles:
CNC(=O)C=CC=CC1CC1C1CC1C1CC1C1CC1C=CC1CC1C| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 351.53 | Num_heavy_atoms: | 26 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
