Glycoside

GD020635
Name:
JADOMYCIN LFormula:
C30H31O9NSmiles:
Cc1cc(O)c2c(c1)[C@@H]1OC(=O)[C@H](CC(C)C)N1C1=C2C(=O)c2cccc(O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CC(C)C)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.43 |
AlogP: | 3.01 | Num_rotatable_bonds: | 4 |
MolWt: | 549.58 | Num_heavy_atoms: | 40 |
TPSA: | 142.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD14220
Formula: C24H21O6N
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CC(C)C)N1C1=C2C(=O)c2cccc(O)c2C1=OHBA: | 7 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.29 |
AlogP: | 3.48 | Num_rotatable_bonds: | 2 |
MolWt: | 419.43 | Num_heavy_atoms: | 31 |
TPSA: | 104.14 | NumAromaticRings: | 2 |