Glycoside
GD019773
Name:
NoneFormula:
C33H37O5N7Smiles:
COc1ccc2c(c1)c(CCNc1ncnc3c1ncn3C1O[C@H](C(=O)NC3CC3)[C@H](O)[C@H]1O)cn2Cc1cc(C)ccc1CAglycone:
COc1ccc2c(c1)c(CCNc1ncnc3c1N=C[N]3)cn2Cc1cc(C)ccc1C.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 611.7 | Num_heavy_atoms: | 45 |
| TPSA: | 148.58 | NumAromaticRings: | 5 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD13755
Formula: C25H25ON6
Smiles:
COc1ccc2c(c1)c(CCNc1ncnc3c1N=C[N]3)cn2Cc1cc(C)ccc1C| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.52 | Num_heavy_atoms: | 32 |
| TPSA: | 78.43 | NumAromaticRings: | 4 |
