Glycoside
GD139360
Name:
9-DehydrodemycarosylplatenomycinFormula:
C31H49O11NSmiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C(OC2OC(C)C(O)C(N(C)C)C2O)C1OCAglycone:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 611.73 | Num_heavy_atoms: | 43 |
| TPSA: | 158.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD47887
Formula: C23H34O8
Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C(O)C1OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.52 | Num_heavy_atoms: | 31 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
