Glycoside
GD156344
Name:
NoneFormula:
C46H70O15N7S4Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CC5CCNC(=[NH2+])N5)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(CC3CCNC(=[NH2+])N3)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: | 7 |
| HBD: | 15 | FractionCSP3: | 0.7 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 1089.37 | Num_heavy_atoms: | 72 |
| TPSA: | 342.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD49237
Formula: C37H54O9N7S4
Smiles:
N=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSC(CC3CCNC(=[NH2+])N3)C(SSCC3C(CO)CCC3OC4=O)C(CO)N(C=C1C(=O)O)C2| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 869.15 | Num_heavy_atoms: | 57 |
| TPSA: | 254.55 | NumAromaticRings: | 0 |
