Glycoside
GD144365
Name:
NoneFormula:
C39H45O13N5Smiles:
NC1N=C(O)C2NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2N1Aglycone:
NC1N=C(O)C2NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 14 |
| MolWt: | 791.81 | Num_heavy_atoms: | 57 |
| TPSA: | 286.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD58019
Formula: C33H35O8N5
Smiles:
NC1N=C(O)C2NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2N1| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 629.67 | Num_heavy_atoms: | 46 |
| TPSA: | 207.04 | NumAromaticRings: | 3 |
