Glycoside
GD122842
Name:
NoneFormula:
C44H68O15N7S4Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CCNC(N)=[NH2+])SSCC=CC2C3C=CC2=C(NC(=N)NCCCO)C(C(=O)O)=CN(C2)C4CO)OC(CO)C(O)C1(O)OAglycone:
N=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSC(CCNC(N)=[NH2+])C(SSCC3C(CO)CCC3OC4=O)C(CO)N(C=C1C(=O)O)C2Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 16 | FractionCSP3: | 0.68 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 15 |
| MolWt: | 1063.33 | Num_heavy_atoms: | 70 |
| TPSA: | 356.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD45414
Formula: C35H52O9N7S4
Smiles:
N=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSC(CCNC(N)=[NH2+])C(SSCC3C(CO)CCC3OC4=O)C(CO)N(C=C1C(=O)O)C2| HBA: | 16 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.6 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 843.11 | Num_heavy_atoms: | 55 |
| TPSA: | 268.54 | NumAromaticRings: | 0 |
