Glycoside
GD156251
Name:
NoneFormula:
C22H34O8N4Smiles:
COc1cc(NC(O)=NCC2OC(CC(O)=NCCN3CCOCC3)C(O)C2O)cc(OC)c1Aglycone:
CC(O)=NCCN1CCOCC1.CN=C(O)Nc1cc(OC)cc(OC)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 482.53 | Num_heavy_atoms: | 34 |
| TPSA: | 157.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD45716
Formula: C8H16O2N2
Smiles:
CC(O)=NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
AD50776
Formula: C10H14O3N2
Smiles:
CN=C(O)Nc1cc(OC)cc(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 63.08 | NumAromaticRings: | 1 |
