Glycoside
GD147805
Name:
Rubiyunnanin GFormula:
C45H56O14N6Smiles:
CC1N=C(O)C(Cc2ccc(O)cc2)N(C)C(=O)C(C)N=C(O)C(C)N=C(O)C2Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(c3)Oc3ccc(cc3)CC(C(=O)N2C)N(C)C1=OAglycone:
CC1N=C(O)C(Cc2ccc(O)cc2)N(C)C(=O)C(C)N=C(O)C(C)N=C(O)C2Cc3ccc(O)c(c3)Oc3ccc(cc3)CC(C(=O)N2C)N(C)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 904.97 | Num_heavy_atoms: | 65 |
| TPSA: | 287.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD59174
Formula: C39H46O9N6
Smiles:
CC1N=C(O)C(Cc2ccc(O)cc2)N(C)C(=O)C(C)N=C(O)C(C)N=C(O)C2Cc3ccc(O)c(c3)Oc3ccc(cc3)CC(C(=O)N2C)N(C)C1=O| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 742.83 | Num_heavy_atoms: | 54 |
| TPSA: | 208.39 | NumAromaticRings: | 3 |
