Glycoside
GD149125
Name:
Chrondramide 11Formula:
C43H53O13N4ClSmiles:
COC1C(=O)OC(C)C(C)C=C(C)CC(C)C(O)=NC(C)C(=O)N(C)C(Cc2c[nH]c3ccccc23)C(O)=NC1c1ccc(OC2OC(O)C(O)C(O)C2C(=O)O)c(Cl)c1Aglycone:
COC1C(=O)OC(C)C(C)C=C(C)CC(C)C(O)=NC(C)C(=O)N(C)C(Cc2c[nH]c3ccccc23)C(O)=NC1c1ccc(O)c(Cl)c1Sugarmoiety:
O=C(O)C1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 857.35 | Num_heavy_atoms: | 60 |
| TPSA: | 253.26 | NumAromaticRings: | 3 |
Unique Aglycone
AD59636
Formula: C37H45O7N4Cl
Smiles:
COC1C(=O)OC(C)C(C)C=C(C)CC(C)C(O)=NC(C)C(=O)N(C)C(Cc2c[nH]c3ccccc23)C(O)=NC1c1ccc(O)c(Cl)c1| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 6.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 681.23 | Num_heavy_atoms: | 48 |
| TPSA: | 157.04 | NumAromaticRings: | 3 |
