Glycoside
GD010449
Name:
NoneFormula:
C75H87O27N3Smiles:
O=C(O)Cc1cccc(-c2cc(CCCCOc3nc(OCCCCc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5cccc(CC(=O)O)c5)c4)nc(OCCCCc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5cccc(CC(=O)O)c5)c4)n3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(CCCCOc3nc(OCCCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)nc(OCCCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)n3)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: | 30 | RingCount: | 10 |
| HBD: | 15 | FractionCSP3: | 0.44 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 36 |
| MolWt: | 1462.52 | Num_heavy_atoms: | 105 |
| TPSA: | 476.4 | NumAromaticRings: | 7 |
Unique Aglycone
AD08064
Formula: C57H57O12N3
Smiles:
O=C(O)Cc1cccc(-c2cc(CCCCOc3nc(OCCCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)nc(OCCCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)n3)ccc2O)c1| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 10.08 | Num_rotatable_bonds: | 27 |
| MolWt: | 976.09 | Num_heavy_atoms: | 72 |
| TPSA: | 238.95 | NumAromaticRings: | 7 |
