Glycoside
GD016772
Name:
NoneFormula:
C40H46O10N4Smiles:
Cc1noc(C)c1C=CCO[C@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1O)[C@@H](O)[C@@H](O)[C@H](OCC=Cc1c(C)noc1C)C(=O)N[C@@H]1c2ccccc2C[C@H]1OAglycone:
CC=Cc1c(C)noc1C.CC=Cc1c(C)noc1C.NC1c2ccccc2CC1O.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 15 |
| MolWt: | 742.83 | Num_heavy_atoms: | 54 |
| TPSA: | 209.64 | 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 |
AD12037
Formula: C8H11ON
Smiles:
CC=Cc1c(C)noc1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.18 | Num_heavy_atoms: | 10 |
| TPSA: | 26.03 | NumAromaticRings: | 1 |
