Glycoside
GD009978
Name:
NoneFormula:
C67H107O26N6FS3Smiles:
C[C@@H]1CC2C3CCC4=CC(=O)C=CC4C3(F)C(O)CC2(C)[C@@]1(O)C(=O)COC(=O)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:
CC1CC2C3CCC4=CC(=O)C=CC4C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)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: | 32 | RingCount: | 7 |
| HBD: | 20 | FractionCSP3: | 0.82 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 39 |
| MolWt: | 1527.81 | Num_heavy_atoms: | 103 |
| TPSA: | 528.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD07764
Formula: C49H77O11N6FS3
Smiles:
CC1CC2C3CCC4=CC(=O)C=CC4C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)NCCCCCCNC(=O)C(CCCCNC(=O)CCS)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 30 |
| MolWt: | 1041.38 | Num_heavy_atoms: | 70 |
| TPSA: | 258.43 | NumAromaticRings: | 0 |
