Glycoside
GD149060
Name:
Metachelin BFormula:
C47H78O22N6Smiles:
CC(=CC(=O)N(O)CCCC1N=C(O)C(CCCN(O)C(=O)C=C(C)CCOC2OC(CO)C(O)C(O)C2O)N=C1O)CCOC(=O)C(CCCN(O)C(=O)C=C(C)CCOC1OC(CO)C(O)C(O)C1O)N(C)CAglycone:
CC(=CC(=O)N(O)CCCC1N=C(O)C(CCCN(O)C(=O)C=C(C)CCOC(=O)C(CCCN(O)C(=O)C=C(C)CCO)N(C)C)N=C1O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.74 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 30 |
| MolWt: | 1079.16 | Num_heavy_atoms: | 75 |
| TPSA: | 415.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD59609
Formula: C35H58O12N6
Smiles:
CC(=CC(=O)N(O)CCCC1N=C(O)C(CCCN(O)C(=O)C=C(C)CCOC(=O)C(CCCN(O)C(=O)C=C(C)CCO)N(C)C)N=C1O)CCO| HBA: | 18 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 24 |
| MolWt: | 754.88 | Num_heavy_atoms: | 53 |
| TPSA: | 256.8 | NumAromaticRings: | 0 |
