Glycoside
GD004598
Name:
NoneFormula:
C30H41O15N3P2Smiles:
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CC[C@@]2(O)C(=O)COP(=O)(O)OP(=O)(O)OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 745.61 | Num_heavy_atoms: | 50 |
| TPSA: | 284.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03994
Formula: C22H32O11P2
Smiles:
COP(=O)(O)OP(=O)(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.44 | Num_heavy_atoms: | 35 |
| TPSA: | 173.73 | NumAromaticRings: | 0 |
