Glycoside
GD029482
Name:
NoneFormula:
C49H64O15N6Smiles:
C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCN(C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)[C@H](CCC(=O)O)[C@H]3CAglycone:
C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCN(C)C)C(CCC(=O)O)C3CSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 15 |
| MolWt: | 977.08 | Num_heavy_atoms: | 70 |
| TPSA: | 333.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD19172
Formula: C39H48O5N6
Smiles:
C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCN(C)C)C(CCC(=O)O)C3C| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 6.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 680.85 | Num_heavy_atoms: | 50 |
| TPSA: | 153.3 | NumAromaticRings: | 3 |
