Glycoside
GD137522
Name:
Galtamycin BFormula:
C43H48O15Smiles:
Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc(C2CC(O)C(OC4CC(O)C(OC5CCC(OC6C=CC(=O)C(C)O6)C(C)O5)C(C)O4)C(C)O2)c(O)c1C3=OAglycone:
CC1OC(OC2CCC(O)OC2C)C=CC1=O.Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc(C2CC(O)C(O)C(C)O2)c(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.51 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 804.84 | Num_heavy_atoms: | 58 |
| TPSA: | 216.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD51234
Formula: C12H18O5
Smiles:
CC1OC(OC2CCC(O)OC2C)C=CC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.27 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
AD55556
Formula: C25H22O8
Smiles:
Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc(C2CC(O)C(O)C(C)O2)c(O)c1C3=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 450.44 | Num_heavy_atoms: | 33 |
| TPSA: | 144.52 | NumAromaticRings: | 3 |
