Glycoside
GD139899
Name:
NoneFormula:
C37H39O18N3Smiles:
CNCC1CC(c2ccc(N)nc2)c2c(cc3oc(-c4ccc(O)c(O)c4)cc(=[O+])c3c2O)OC12OC(C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(O)C(O)C2OAglycone:
CNCC1CC(c2ccc(N)nc2)c2c(cc3oc(-c4ccc(O)c(O)c4)cc(=[OH+])c3c2O)OC12OC(C(=O)O)C(O)C(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.41 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 813.72 | Num_heavy_atoms: | 58 |
| TPSA: | 357.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD56420
Formula: C31H32O12N3
Smiles:
CNCC1CC(c2ccc(N)nc2)c2c(cc3oc(-c4ccc(O)c(O)c4)cc(=[OH+])c3c2O)OC12OC(C(=O)O)C(O)C(O)C2O| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.32 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 638.61 | Num_heavy_atoms: | 46 |
| TPSA: | 262.62 | NumAromaticRings: | 4 |
