Glycoside
GD122709
Name:
NoneFormula:
C41H46O20N2Smiles:
CC1CCNC2NC=C(C3CCC4(Oc5cc6oc(-c7cc(O)c(O)c(CCO)c7)cc(=O)c6c(O)c53)OC(C(=O)OC3OC(C(=O)O)C(O)(O)C(O)C3O)C(O)C(O)C4O)C=C12Aglycone:
CC1CCNC2NC=C(C3CCC4(Oc5cc6oc(-c7cc(O)c(O)c(CCO)c7)cc(=O)c6c(O)c53)OC(C(=O)O)C(O)C(O)C4O)C=C12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.49 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 886.81 | Num_heavy_atoms: | 63 |
| TPSA: | 368.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD49477
Formula: C35H38O13N2
Smiles:
CC1CCNC2NC=C(C3CCC4(Oc5cc6oc(-c7cc(O)c(O)c(CCO)c7)cc(=O)c6c(O)c53)OC(C(=O)O)C(O)C(O)C4O)C=C12| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 694.69 | Num_heavy_atoms: | 50 |
| TPSA: | 251.64 | NumAromaticRings: | 3 |
