Glycoside
GD030321
Name:
NoneFormula:
C29H31O14N6PSmiles:
CC1=C(Nc2ccc(O)cc2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OC1c2c(COC(N)=O)c3c(n2CC1N)C(=O)C(C)=C(Nc1ccc(O)cc1)C3=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.34 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 718.57 | Num_heavy_atoms: | 50 |
| TPSA: | 309.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD19621
Formula: C21H23O9N4P
Smiles:
COP(=O)(O)OC1c2c(COC(N)=O)c3c(n2CC1N)C(=O)C(C)=C(Nc1ccc(O)cc1)C3=O| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.41 | Num_heavy_atoms: | 35 |
| TPSA: | 205.43 | NumAromaticRings: | 2 |
