Glycoside
GD144646
Name:
NoneFormula:
C39H45O14N5Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3(O)CCO)C(=O)c3cc(CO)ccc3C4=O)C2N1Aglycone:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1Sugarmoiety:
OCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 807.81 | Num_heavy_atoms: | 58 |
| TPSA: | 306.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD54025
Formula: C31H31O8N5
Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 601.62 | Num_heavy_atoms: | 44 |
| TPSA: | 207.04 | NumAromaticRings: | 3 |
