Glycoside
GD150900
Name:
NoneFormula:
C38H57O14N4S2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C2C(=O)OC3CCCC3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3Aglycone:
C=CC1C(O)OC=C2C(=O)OC3CCCC3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.66 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 12 |
| MolWt: | 858.02 | Num_heavy_atoms: | 58 |
| TPSA: | 274.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD48343
Formula: C29H41O8N4S2
Smiles:
C=CC1C(O)OC=C2C(=O)OC3CCCC3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 637.8 | Num_heavy_atoms: | 43 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
