Glycoside
GD015885
Name:
NoneFormula:
C52H66O16N2Smiles:
O=C(O)Cc1cccc(-c2cc(CCCCN3CCN(CCCCc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5cccc(CC(=O)O)c5)c4)CC3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(CCCCN3CCN(CCCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)CC3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 22 |
| MolWt: | 975.1 | Num_heavy_atoms: | 70 |
| TPSA: | 279.84 | NumAromaticRings: | 4 |
Unique Aglycone
AD11491
Formula: C40H46O6N2
Smiles:
O=C(O)Cc1cccc(-c2cc(CCCCN3CCN(CCCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)CC3)ccc2O)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 6.65 | Num_rotatable_bonds: | 16 |
| MolWt: | 650.82 | Num_heavy_atoms: | 48 |
| TPSA: | 121.54 | NumAromaticRings: | 4 |
