Glycoside
GD026336
Name:
NoneFormula:
C17H26O15N2P2Smiles:
O=c1ccn([C@@]23C[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]2C3)c(=O)[nH]1Aglycone:
O=c1ccn(C23CC(O)C(COP(=O)(O)OP(=O)(O)O)C2C3)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.34 | Num_heavy_atoms: | 36 |
| TPSA: | 267.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD17364
Formula: C11H16O10N2P2
Smiles:
O=c1ccn(C23CC(O)C(COP(=O)(O)OP(=O)(O)O)C2C3)c(=O)[nH]1| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.2 | Num_heavy_atoms: | 25 |
| TPSA: | 188.38 | NumAromaticRings: | 1 |
