Glycoside
GD147694
Name:
NoneFormula:
C55H68O17N8Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(CO)(NC(=N)NCCNC3CCNCC3)OC(=O)C(NCCC=O)C(=O)O)C(O)(CO)C2(O)C(O)CCCO)c1Aglycone:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.N=C(NCCNC1CCNCC1)NC(CO)OC(=O)C(NCCC=O)C(=O)O.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.OCCCCOSugarmoiety:
OCC1(O)C(O)OC(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.44 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 25 |
| MolWt: | 1113.19 | Num_heavy_atoms: | 80 |
| TPSA: | 384.9 | NumAromaticRings: | 6 |
Unique Aglycone
AD04556
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
AD09062
Formula: C4H10O2
Smiles:
OCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 90.12 | Num_heavy_atoms: | 6 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD45036
Formula: C14H14ON2
Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.28 | Num_heavy_atoms: | 17 |
| TPSA: | 40.95 | NumAromaticRings: | 3 |
AD59140
Formula: C16H30O6N6
Smiles:
N=C(NCCNC1CCNCC1)NC(CO)OC(=O)C(NCCC=O)C(=O)O| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 402.45 | Num_heavy_atoms: | 28 |
| TPSA: | 184.9 | NumAromaticRings: | 0 |
