Glycoside
GD028828
Name:
NoneFormula:
C32H44O20N4P2Smiles:
O=C(COCCOCCOCc1ccc2ccccc2c1)NNC[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNNC(=O)COCCOCCOCc1ccc2ccccc2c1.COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OOC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 21 |
| MolWt: | 866.66 | Num_heavy_atoms: | 58 |
| TPSA: | 345.58 | 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 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD18792
Formula: C18H24O4N2
Smiles:
CNNC(=O)COCCOCCOCc1ccc2ccccc2c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 332.4 | Num_heavy_atoms: | 24 |
| TPSA: | 68.82 | NumAromaticRings: | 2 |
