Glycoside
GD145236
Name:
hpg-beta2-n5aFormula:
C38H66O25N4Smiles:
CC(O)=NC(CO)C(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2N=C(C)O)C1N=C(C)O)C(O)C(O)COAglycone:
CC(O)=NCCOSugarmoiety:
CC(O)=NC1C(OC2C(OC3C(N=C(C)O)C(OC(O)C(O)C(O)CO)OC(CO)C3OC3OC(CO)C(O)C(O)C3N=C(C)O)OC(C)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.89 |
| AlogP: | -7.32 | Num_rotatable_bonds: | 20 |
| MolWt: | 978.95 | Num_heavy_atoms: | 67 |
| TPSA: | 467.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD45321
Formula: C4H9O2N
Smiles:
CC(O)=NCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
Sugarmoiety
SD09193
CC(O)=NC1C(OC2C(OC3C(N=C(C)O)C(OC(O)C(O)C(O)CO)OC(CO)C3OC3OC(CO)C(O)C(O)C3N=C(C)O)OC(C)C(O)C2O)OC(CO)C(O)C1O