Glycoside
GD001705
Name:
NoneFormula:
C42H48O12N6Smiles:
COc1ncc(C=CCO[C@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@@H](O)[C@@H](O)[C@H](OCC=Cc2cnc(OC)nc2OC)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c(OC)n1Aglycone:
CC=Cc1cnc(OC)nc1OC.CC=Cc1cnc(OC)nc1OC.NC1c2ccccc2CC1O.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 19 |
| MolWt: | 828.88 | Num_heavy_atoms: | 60 |
| TPSA: | 246.06 | NumAromaticRings: | 4 |
Unique Aglycone
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
AD01680
Formula: C9H12O2N2
Smiles:
CC=Cc1cnc(OC)nc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.21 | Num_heavy_atoms: | 13 |
| TPSA: | 44.24 | NumAromaticRings: | 1 |
