Glycoside
GD018505
Name:
NoneFormula:
C54H90O22N6S3Smiles:
O=C(CCSC1OC(CO)C(O)C(O)C1O)NCCCCC(NC(=O)[C@H](CCCCNC(=O)CCSC1OC(CO)C(O)C(O)C1O)NC(=O)CCSC1OC(CO)C(O)C(O)C1O)C(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1Aglycone:
O=C(CCS)NCCCCC(NC(=O)CCS)C(=O)NC(CCCCNC(=O)CCS)C(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 0.78 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 39 |
| MolWt: | 1271.54 | Num_heavy_atoms: | 85 |
| TPSA: | 465.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD13049
Formula: C36H60O7N6S3
Smiles:
O=C(CCS)NCCCCC(NC(=O)CCS)C(=O)NC(CCCCNC(=O)CCS)C(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 30 |
| MolWt: | 785.11 | Num_heavy_atoms: | 52 |
| TPSA: | 194.83 | NumAromaticRings: | 1 |
