Glycoside
GD136608
Name:
d-olivosyl-jadomycin-trpFormula:
C36H32O9N2Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCc3c[nH]c4ccccc34)N1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCc3c[nH]c4ccccc34)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.66 | Num_heavy_atoms: | 47 |
| TPSA: | 158.62 | NumAromaticRings: | 4 |
Unique Aglycone
AD55231
Formula: C30H22O6N2
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCc3c[nH]c4ccccc34)N1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 506.51 | Num_heavy_atoms: | 38 |
| TPSA: | 119.93 | NumAromaticRings: | 4 |
