Glycoside
GD005796
Name:
NoneFormula:
C30H39O12N6PSmiles:
CO[C@@H]1[C@H](OP(=O)(O)OCCc2ccc(CCN(C)C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@H]3C(=O)O)cc2)[C@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
CN(CCc1ccc(CCOP(=O)(O)O)cc1)C(=O)C1C2CCC(O2)C1C(=O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 14 |
| MolWt: | 706.65 | Num_heavy_atoms: | 49 |
| TPSA: | 250.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD04871
Formula: C19H26O8NP
Smiles:
CN(CCc1ccc(CCOP(=O)(O)O)cc1)C(=O)C1C2CCC(O2)C1C(=O)O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 427.39 | Num_heavy_atoms: | 29 |
| TPSA: | 133.6 | NumAromaticRings: | 1 |
