Glycoside
GD157782
Name:
ahdp-mmft-1Formula:
C33H52O17N2Smiles:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(Oc4ccc(CC5N=C(O)C(N)C5(C)C)cc4)C(O)C3O)C(OC)C2O)C(O)C1OAglycone:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1NSugarmoiety:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(OC)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.79 |
| AlogP: | -3.94 | Num_rotatable_bonds: | 13 |
| MolWt: | 748.78 | Num_heavy_atoms: | 52 |
| TPSA: | 294.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD44967
Formula: C13H18O2N2
Smiles:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1N| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 78.84 | NumAromaticRings: | 1 |
