Glycoside
GD005082
Name:
NoneFormula:
C50H45O10N9SSmiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NCCN=C(S)Nc1ccc2c(c1)C(=O)CC21c2ccc(O)cc2Oc2cc(O)ccc21Aglycone:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc2c(c1)C(=O)CC21c2ccc(O)cc2Oc2cc(O)ccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 10 |
| HBD: | 9 | FractionCSP3: | 0.22 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 13 |
| MolWt: | 964.03 | Num_heavy_atoms: | 70 |
| TPSA: | 274.9 | NumAromaticRings: | 7 |
Unique Aglycone
AD04350
Formula: C45H36O6N9S
Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc2c(c1)C(=O)CC21c2ccc(O)cc2Oc2cc(O)ccc21| HBA: | 15 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 6.81 | Num_rotatable_bonds: | 11 |
| MolWt: | 830.91 | Num_heavy_atoms: | 61 |
| TPSA: | 213.62 | NumAromaticRings: | 6 |
