Glycoside
GD000686
Name:
NoneFormula:
C38H40O8N2S2Smiles:
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@@H](OCC=Cc1ccsc1)[C@@H](O)[C@@H](O)[C@@H](OCC=Cc1ccsc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1OAglycone:
CC=Cc1ccsc1.CC=Cc1ccsc1.NC1c2ccccc2CC1O.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 15 |
| MolWt: | 716.88 | Num_heavy_atoms: | 50 |
| TPSA: | 157.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD00739
Formula: C7H8S
Smiles:
CC=Cc1ccsc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.21 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
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 |
