Glycoside
GD006654
Name:
NoneFormula:
C40H62O14N10Smiles:
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)O)[C@H](O)[C@H]3O)c2=O)cc1Aglycone:
CC(C)CC(NC(=O)C(CCCN=C(N)N)NC(=O)NC(C(=O)O)C(C)C)C(=O)NCCCNC(CO)C(=O)O.COc1ccc(Cn2c(=O)cc[nH]c2=O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.6 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 25 |
| MolWt: | 906.99 | Num_heavy_atoms: | 64 |
| TPSA: | 373.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00600
Formula: C12H12O3N2
Smiles:
COc1ccc(Cn2c(=O)cc[nH]c2=O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 232.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.09 | NumAromaticRings: | 2 |
AD05485
Formula: C24H46O8N8
Smiles:
CC(C)CC(NC(=O)C(CCCN=C(N)N)NC(=O)NC(C(=O)O)C(C)C)C(=O)NCCCNC(CO)C(=O)O| HBA: | 16 | RingCount: | 0 |
| HBD: | 12 | FractionCSP3: | 0.75 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 20 |
| MolWt: | 574.68 | Num_heavy_atoms: | 40 |
| TPSA: | 270.59 | NumAromaticRings: | 0 |
