Glycoside
GD148444
Name:
NoneFormula:
C51H74O15N7S2Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CC5CCNC(=[NH2+])N5)C#CC(=CC5=C(NC(=N)NCCCO)C(C(=O)O)=CN(C5)C4CO)C3C2C=C2CCCC2)OC(CO)C(O)C1(O)OAglycone:
N=C(NCCCO)NC1=C2C=C3C#CC(CC4CCNC(=[NH2+])N4)C(SSCC4C(CO)CCC4OC(=O)C4=COC(O)C(C=C5CCCC5)C34)C(CO)N(C=C1C(=O)O)C2Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.69 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 15 |
| MolWt: | 1089.32 | Num_heavy_atoms: | 75 |
| TPSA: | 342.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD59402
Formula: C42H58O9N7S2
Smiles:
N=C(NCCCO)NC1=C2C=C3C#CC(CC4CCNC(=[NH2+])N4)C(SSCC4C(CO)CCC4OC(=O)C4=COC(O)C(C=C5CCCC5)C34)C(CO)N(C=C1C(=O)O)C2| HBA: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 869.1 | Num_heavy_atoms: | 60 |
| TPSA: | 254.55 | NumAromaticRings: | 0 |
