Glycoside
GD153158
Name:
NoneFormula:
C51H62O15N8Smiles:
CNC(=N)NC1CCC2c3c(c4c(c(O)c31)C(=O)c1c(OC3OC(O)(CO)C(O)(CC(CN5C(=O)C=CC5=O)C5=CCNC(N)=C5)C(O)C3O)cc(OC)c(CO)c1C4=O)CCC(CCO)C2C1=CNC(N)C=C1Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NC1CCC2c3c(c4c(c(O)c31)C(=O)c1c(O)cc(OC)c(CO)c1C4=O)CCC(CCO)C2C1=CNC(N)C=C1Sugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 17 | FractionCSP3: | 0.47 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 14 |
| MolWt: | 1027.1 | Num_heavy_atoms: | 74 |
| 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 |
AD49471
Formula: C33H39O7N5
Smiles:
CNC(=N)NC1CCC2c3c(c4c(c(O)c31)C(=O)c1c(O)cc(OC)c(CO)c1C4=O)CCC(CCO)C2C1=CNC(N)C=C1| HBA: | 12 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 617.7 | Num_heavy_atoms: | 45 |
| TPSA: | 210.25 | NumAromaticRings: | 2 |
