Glycoside
GD118394
Name:
Davallioside BFormula:
C25H29O12NSmiles:
OCC1OC(OC2Cc3c(O)cc(O)c(C4CCC(O)=N4)c3OC2c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
OC1=NC(c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 535.5 | Num_heavy_atoms: | 38 |
| TPSA: | 222.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD47333
Formula: C19H19O7N
Smiles:
OC1=NC(c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)CC1| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 373.36 | Num_heavy_atoms: | 27 |
| TPSA: | 142.97 | NumAromaticRings: | 2 |
