Glycoside
GD118392
Name:
NoneFormula:
C52H64O15N8Smiles:
CCc1c(OC)cc(OC2OC(O)(C(O)O)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1c3c4c(c(O)c1C2=O)C(NC(=N)NC)CCC4C(C1=CNC(N)C=C1)C(CCO)CC3Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1c3c4c(c(O)c1C2=O)C(NC(=N)NC)CCC4C(C1=CNC(N)C=C1)C(CCO)CC3Sugarmoiety:
OC1OC(O)(C(O)O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 17 | FractionCSP3: | 0.48 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 14 |
| MolWt: | 1041.12 | Num_heavy_atoms: | 75 |
| TPSA: | 385.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD45449
Formula: C12H15O2N3
Smiles:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 75.43 | NumAromaticRings: | 0 |
AD47332
Formula: C34H41O6N5
Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1c3c4c(c(O)c1C2=O)C(NC(=N)NC)CCC4C(C1=CNC(N)C=C1)C(CCO)CC3| HBA: | 11 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 615.73 | Num_heavy_atoms: | 45 |
| TPSA: | 190.02 | NumAromaticRings: | 2 |
