Glycoside
GD004368
Name:
NoneFormula:
C32H41O7N4ClSSmiles:
O=C(CCc1ccc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)c1)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CNC(=O)CCc1ccc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)c1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 649.21 | Num_heavy_atoms: | 44 |
| TPSA: | 157.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD03824
Formula: C27H31O2N4ClS
Smiles:
CNC(=O)CCc1ccc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)c1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 499.08 | Num_heavy_atoms: | 34 |
| TPSA: | 55.89 | NumAromaticRings: | 2 |
