Glycoside
GD011430
Name:
NoneFormula:
C38H51O5N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNC(=O)NCCN(C(C)C)C4CCCC4)nc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(CCNC(=O)NCc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)C1CCCC1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 15 |
| MolWt: | 713.88 | Num_heavy_atoms: | 52 |
| TPSA: | 178.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD08740
Formula: C31H39ON8
Smiles:
CC(C)N(CCNC(=O)NCc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)C1CCCC1| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 539.71 | Num_heavy_atoms: | 40 |
| TPSA: | 108.64 | NumAromaticRings: | 3 |
