Glycoside
GD005269
Name:
NoneFormula:
C75H78O27S3Smiles:
O=C(O)Cc1cccc(-c2cc(C(=O)CSCc3cc(CSCC(=O)c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5ccccc5CC(=O)O)c4)cc(CSCC(=O)c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5ccccc5CC(=O)O)c4)c3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(C(=O)CSCc3cc(CSCC(=O)c4ccc(O)c(-c5ccccc5CC(=O)O)c4)cc(CSCC(=O)c4ccc(O)c(-c5ccccc5CC(=O)O)c4)c3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 10 |
| HBD: | 15 | FractionCSP3: | 0.36 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 33 |
| MolWt: | 1507.62 | Num_heavy_atoms: | 105 |
| TPSA: | 461.25 | NumAromaticRings: | 7 |
Unique Aglycone
AD04499
Formula: C57H48O12S3
Smiles:
O=C(O)Cc1cccc(-c2cc(C(=O)CSCc3cc(CSCC(=O)c4ccc(O)c(-c5ccccc5CC(=O)O)c4)cc(CSCC(=O)c4ccc(O)c(-c5ccccc5CC(=O)O)c4)c3)ccc2O)c1| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.16 |
| AlogP: | 11.03 | Num_rotatable_bonds: | 24 |
| MolWt: | 1021.2 | Num_heavy_atoms: | 72 |
| TPSA: | 223.8 | NumAromaticRings: | 7 |
