Glycoside
GD152401
Name:
NoneFormula:
C50H74O15N7S4Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C5CC6CC7(CCC(C7)C2(C=CCSS5)C3C=CC2=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C2)C4CO)NC(=N)N6)OC(CO)C(O)C1(O)OAglycone:
N=C1NC2CC3SSCC=CC4(C5CCC(C2)(C5)N1)C(O)OC=C1C(=O)OC2CCC(CO)C2CSSC3C(CO)N2C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC14)C2Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.72 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 12 |
| MolWt: | 1141.44 | Num_heavy_atoms: | 76 |
| TPSA: | 342.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD51452
Formula: C41H58O9N7S4
Smiles:
N=C1NC2CC3SSCC=CC4(C5CCC(C2)(C5)N1)C(O)OC=C1C(=O)OC2CCC(CO)C2CSSC3C(CO)N2C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC14)C2| HBA: | 16 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.66 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 921.22 | Num_heavy_atoms: | 61 |
| TPSA: | 254.55 | NumAromaticRings: | 0 |
