Glycoside
GD021580
Name:
NoneFormula:
C45H82O20N6S3Smiles:
NCCCCCCNC(=O)C(CCCCNC(=O)CCSC1OC(CO)C(O)C(O)C1O)NC(=O)[C@H](CCCCNC(=O)CCSC1OC(CO)C(O)C(O)C1O)NC(=O)CCSC1OC(CO)C(O)C(O)C1OAglycone:
NCCCCCCNC(=O)C(CCCCNC(=O)CCS)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCSSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.89 |
| AlogP: | -6.07 | Num_rotatable_bonds: | 35 |
| MolWt: | 1123.37 | Num_heavy_atoms: | 74 |
| TPSA: | 441.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD14739
Formula: C27H52O5N6S3
Smiles:
NCCCCCCNC(=O)C(CCCCNC(=O)CCS)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS| HBA: | 11 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 26 |
| MolWt: | 636.95 | Num_heavy_atoms: | 41 |
| TPSA: | 171.52 | NumAromaticRings: | 0 |
