Glycoside
GD119486
Name:
A-500359 M2Formula:
C23H31O12N5SSmiles:
COC1C(O)C(n2ccc(O)nc2=O)OC1C(OC1OC(C(O)=NC2CSCC(C)N=C2O)=CC(O)C1O)C(=N)OAglycone:
CC1CSCC(N=C(O)C2=CC(O)C(O)C(OCC(=N)O)O2)C(O)=N1.O=c1nc(O)cc[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 601.59 | Num_heavy_atoms: | 41 |
| TPSA: | 261.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD47878
Formula: C14H21O7N3S
Smiles:
CC1CSCC(N=C(O)C2=CC(O)C(O)C(OCC(=N)O)O2)C(O)=N1| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.4 | Num_heavy_atoms: | 25 |
| TPSA: | 168.18 | NumAromaticRings: | 0 |
