Glycoside
GD108085
Name:
NoneFormula:
C31H40O6N7Smiles:
CCOC(=O)CCN(c1ccccn1)[C@@H](c1ccc2c(c1)nc(CNc1ccc(C(N)=[NH2+])cc1)n2C)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CCOC(=O)CCN(Cc1ccc2c(c1)nc(CNc1ccc(C(N)=[NH2+])cc1)n2C)c1ccccn1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 15 |
| MolWt: | 606.7 | Num_heavy_atoms: | 44 |
| TPSA: | 204.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD44396
Formula: C27H32O2N7
Smiles:
CCOC(=O)CCN(Cc1ccc2c(c1)nc(CNc1ccc(C(N)=[NH2+])cc1)n2C)c1ccccn1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 486.6 | Num_heavy_atoms: | 36 |
| TPSA: | 123.89 | NumAromaticRings: | 4 |
